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5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde

5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde - CAS 62564-90-3

Catalog:	BB031664
Product Name:	5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde
CAS:	62564-90-3
Synonyms:	5-amino-1-methyl-4-pyrazolecarboxaldehyde; 5-amino-1-methylpyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1-methylpyrazole-4-carbaldehyde
Description:	5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde (CAS# 62564-90-3) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	CN1C(=C(C=N1)C=O)N
InChI:	InChI=1S/C5H7N3O/c1-8-5(6)4(3-9)2-7-8/h2-3H,6H2,1H3
InChI Key:	NDGIYFSWJGZTRC-UHFFFAOYSA-N
Boiling Point:	318.556 °C at 760 mmHg
Density:	1.346 g/cm³
LogP:	0.39600

Publication Number	Title	Priority Date
AU-2018300094-A1	5-membered and bicyclic heterocyclic amides as inhibitors of rock	20170712
CN-110869363-A	5-membered and bicyclic heterocyclic amides as ROCK inhibitors	20170712
EP-3652168-A1	5-membered and bicyclic heterocyclic amides as inhibitors of rock	20170712
KR-20200028423-A	5-membered and bicyclic heterocyclic amides as inhibitors of ROCK	20170712
TW-201908293-A	5 members of ROCK inhibitor and bicyclic heterocyclic guanamine	20170712

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1