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5-amino-1-methyl-1H-pyrazole-4-carboxylic acid

5-amino-1-methyl-1H-pyrazole-4-carboxylic acid - CAS 4058-91-7

Name: 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024573
Product Name:	5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
CAS:	4058-91-7
Synonyms:	5-amino-1-methyl-4-pyrazolecarboxylic acid; 5-amino-1-methylpyrazole-4-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-amino-1-methylpyrazole-4-carboxylic acid
Description:	5-amino-1-methyl-1H-pyrazole-4-carboxylic acid (CAS# 4058-91-7) is used in preparation of pyrazolopyrimidinone compounds with herbicidal activity.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CN1C(=C(C=N1)C(=O)O)N
InChI:	InChI=1S/C5H7N3O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChI Key:	NVRCXLPKLCKSSN-UHFFFAOYSA-N
Boiling Point:	371.3 °C at 760 mmHg
Purity:	98 %
Density:	1.56 g/cm³
MDL:	MFCD00973833
LogP:	0.28170

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[4313-03-5]C7H10O
2,4-Heptadienal

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110066282-B	Pyrazolopyrimidinone compound and preparation method and application thereof	20190610
CN-110914263-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
EP-3619209-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
KR-20200013665-A	Bicyclic heterocyclic compounds substituted as NADPH oxidase inhibitors	20170504
WO-2018203298-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504

Complexity:	150
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:	1
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0