5-Amino-1-methylpyrazole-4-carboxamide - CAS 18213-75-7

Catalog:	BB013875
Product Name:	5-Amino-1-methylpyrazole-4-carboxamide
CAS:	18213-75-7
Synonyms:	5-amino-1-methyl-4-pyrazolecarboxamide; 5-amino-1-methylpyrazole-4-carboxamide

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-amino-1-methylpyrazole-4-carboxamide
Description:	5-Amino-1-methylpyrazole-4-carboxamide (CAS# 18213-75-7) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C5H8N4O
Canonical SMILES:	CN1C(=C(C=N1)C(=O)N)N
InChI:	InChI=1S/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChI Key:	JGSQVTVXGXOSCH-UHFFFAOYSA-N
Boiling Point:	355.1 °C at 760 mmHg
Density:	1.56 g/cm³
Appearance:	Yellow solid
MDL:	MFCD00111808
LogP:	0.38270

Publication Number	Title	Priority Date
WO-2021156774-A1	Combination therapy for treating mps1	20200203
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
TW-201925413-A	Chemical mechanical polishing composition	20171122
WO-2019101555-A1	Chemical mechanical polishing composition	20171122
CN-111356747-A	Chemical mechanical polishing composition	20171122

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.06981089
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.06981089
Rotatable Bond Count:	1
Topological Polar Surface Area:	86.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7