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1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde

1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde - CAS 423768-44-9

Name: 1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB025119
Product Name:	1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
CAS:	423768-44-9
Synonyms:	1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde
Description:	1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde (CAS# 423768-44-9) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	CC1=C(C=NN1C2=CC=C(C=C2)OC)C=O
InChI:	InChI=1S/C12H12N2O2/c1-9-10(8-15)7-13-14(9)11-3-5-12(16-2)6-4-11/h3-8H,1-2H3
InChI Key:	SYBPJZRAGTVHTN-UHFFFAOYSA-N
Boiling Point:	363.3 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD03407348
LogP:	2.00180

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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
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2008251584-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists	20070511
AU-2008251584-B2	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists	20070511
CA-2684563-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511
EA-016529-B1	2- [4- (PYRAZOL-4-ILALKIL) PIPERAZIN-1-IL] -3-PHENYLPYRASINES AND -PYRIDINES AND 3- [4- (PYRAZOL-4-ILALKIL) PIPERAZIN-1-IL] -2-FEPYPIPRI SPRONIUM APPROPHOLI IMPROPRIATE HYSTRATE PRIOR APPLICATION 5-HT Receptors Antagonists	20070511
EP-2155717-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.089877630
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.089877630
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7