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5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde

5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde - CAS 947-95-5

Name: 5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041505
Product Name:	5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde
CAS:	947-95-5
Synonyms:	5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde

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Computed Properties

IUPAC Name:	5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde
Description:	5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde (CAS# 947-95-5) is a useful research chemical.
Molecular Weight:	220.65
Molecular Formula:	C11H9ClN2O
Canonical SMILES:	CC1=NN(C(=C1C=O)Cl)C2=CC=CC=C2
InChI:	InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:	DKZPJLZXLKAMDO-UHFFFAOYSA-N
Boiling Point:	356.1 °C at 760 mmHg
Density:	1.26 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00100755
LogP:	2.64660

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-20210106381-A	A novel synthetic method of organoselenum compounds	20200220
CN-113072501-A	1-phenyl-3- (pyrazol-4-yl) propyl-2-alkene-1-ketone derivative and preparation method and medical application thereof	20200103
CN-110642864-A	Spiro [ indazole-pyrazoline ] derivative containing pyrazole structure and preparation method and application thereof	20191105
CN-110655522-A	O-chlorophenyl substituted spiro [ indazole-pyrazoline ] derivative containing pyrazole structure and preparation method and application thereof	20191105
CN-110724148-A	P-chlorophenyl substituted spiro [ indazole-pyrazoline ] derivative containing pyrazole structure and preparation method and application thereof	20191105

PMID	Publication Date	Title	Journal
21989734	20120201	Synthesis and antioxidant evaluation of some new pyrazolopyridine derivatives	Archiv der Pharmazie
21954015	20111101	Synthesis and antioxidant evaluation of some new 3-substituted coumarins	Archiv der Pharmazie
21507638	20110515	Thermal solvent-free synthesis of novel pyrazolyl chalcones and pyrazolines as potential antimicrobial agents	Bioorganic & medicinal chemistry letters
20149490	20100501	Synthesis of some new pyrimido[2',1':2,3]thiazolo[4,5-b]quinoxaline derivatives as anti-inflammatory and analgesic agents	European journal of medicinal chemistry
21583097	20090507	Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0403406
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.0403406
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7