3-Methyl-1H-pyrazole-5-carbaldehyde - CAS 3273-44-7

Catalog:	BB021389
Product Name:	3-Methyl-1H-pyrazole-5-carbaldehyde
CAS:	3273-44-7
Synonyms:	5-methyl-1H-pyrazole-3-carboxaldehyde; 5-methyl-1H-pyrazole-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-methyl-1H-pyrazole-3-carbaldehyde
Description:	3-Methyl-1H-pyrazole-5-carbaldehyde (CAS# 3273-44-7) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=CC(=NN1)C=O
InChI:	InChI=1S/C5H6N2O/c1-4-2-5(3-8)7-6-4/h2-3H,1H3,(H,6,7)
InChI Key:	CZAZDIRRZHGKBI-UHFFFAOYSA-N
Boiling Point:	294.2 °C at 760 mmHg
Purity:	95 %
Density:	1.238 g/cm³
MDL:	MFCD00159629
LogP:	0.53060

Publication Number	Title	Priority Date
TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220
US-2019194189-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220
WO-2019121885-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220
CN-111556871-A	1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors	20171220
EP-3728249-A1	1H -PYRAZOLO[4,3-b ]PYRIDINES AS PDE1 INHIBITORS	20171220

PMID	Publication Date	Title	Journal
21103467	20110107	Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II)	Dalton transactions (Cambridge, England : 2003)
17200748	20070121	Synthesis and characterization of a spin crossover iron(II)-iron(III) mixed valence supramolecular pseudo-dimer exhibiting chiral recognition, hydrogen bonding, and pi-pi interactions	Dalton transactions (Cambridge, England : 2003)
15907114	20050530	Copper(II) mediated anion dependent formation of Schiff base complexes	Inorganic chemistry
12401086	20021104	Novel copper(II) induced formation of a porphyrinogen derivative: X-ray structural, spectroscopic, and electrochemical studies of porphyrinogen complexes of Cu(II) and Co(III) complex of a trispyrazolyl tripodal ligand	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	94.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4