Methyl 5-Aminopyrazole-3-carboxylate - CAS 632365-54-9

Catalog:	BB032069
Product Name:	Methyl 5-Aminopyrazole-3-carboxylate
CAS:	632365-54-9
Synonyms:	3-amino-1H-pyrazole-5-carboxylic acid methyl ester; methyl 3-amino-1H-pyrazole-5-carboxylate

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Computed Properties

IUPAC Name:	methyl 3-amino-1H-pyrazole-5-carboxylate
Description:	Methyl 5-Aminopyrazole-3-carboxylate (CAS# 632365-54-9) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	COC(=O)C1=CC(=NN1)N
InChI:	InChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChI Key:	WUKSVVOCYHTIMV-UHFFFAOYSA-N
Boiling Point:	397.8 °C at 760 mmHg
Density:	1.395 g/cm³
MDL:	MFCD08063165
LogP:	0.35970

Publication Number	Title	Priority Date
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021115225-A1	Pyrazole-containing polycyclic derivative inhibitor, preparation method therefor and application thereof	20191210
WO-2020054670-A1	Novel heteroaromatic amide derivative and medicine containing same	20180910
JP-WO2020054670-A1	New heteroaromatic amide derivatives and pharmaceuticals containing them	20180910

PMID	Publication Date	Title	Journal
21583114	20090514	Methyl 3-[3-(ethoxy-carbon-yl)thio-ureido]-1H-pyrazole-5-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

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[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
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

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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

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	81 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1