AG007771

117860-53-4 | 5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid

AG007771

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CAS Number	117860-53-4
Catalog Number	AG007771(AGN-PC-0LQ211)
Chemical Name	5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	5-amino-1-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C5H7N3O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChI Key	BRXPDBOCAWXPLY-UHFFFAOYSA-N
MDL Number	MFCD10001575
Molecular Formula	C5H7N3O2
Molecular Weight	141.1280
SMILES	O=C(C1=NN(C)C(N)=C1)O
Synonyms	117860-53-4, 5-amino-1-methyl-1H-pyrazole-3-carboxylic acid, 5-amino-1-methyl-pyrazole-3-carboxylic Acid, 5-amino-1-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-amino-1-methyl-, AC1NRYXN, ACMC-20mnh0, SCHEMBL5879683, CTK0H3106, DTXSID10416037, KS-000004TN, BBL016299, MFCD10001575, SBB026484, STK353412, ZINC12399026, AKOS005168879, MCULE-2170248787, PB19094, AS-34092, ST095306, 1-methyl-5-aminopyrazole-3-carboxylic acid, AB0088742, CS-0050691, H2408, EN300-92610, InChI=1/C5H7N3O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,6H2,1H3,(H,9,10, CID5325688, 1H-Pyrazole-3-carboxylic acid, 5-amino-1-methyl- (9CI),

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.054g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	141.13g/mol
Monoisotopic Mass	141.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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