AG002MRE

23286-70-6 | 1H-Pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester

AG002MRE

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CAS Number	23286-70-6
Catalog Number	AG002MRE(AGN-PC-0JUW8N)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester
IUPAC Name	ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)
InChI Key	WOCMIZZYXHVSPS-UHFFFAOYSA-N
MDL Number	MFCD01210846
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	O=C(C1=C(C)NN=C1N)OCC
Synonyms	ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, 23286-70-6, 5-Amino-3-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate, MFCD01210846, 1H-Pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester, ethyl 5-amino-3-methylpyrazole-4-carboxylate, AC1LEBNA, TimTec1_000436, ACMC-1CO96, SCHEMBL600955, AC1Q333F, 5-amino-3-methyl-1H-pyrazole-4-carboxylicacidethylester, CHEMBL3929203, CTK4F1239, DTXSID20350579, WOCMIZZYXHVSPS-UHFFFAOYSA-N, HMS1535D18, KS-000019KD, BBL029208, CE-539, SBB059500, STK978383, ZINC18142182, AKOS002681154, FS-1118, MB01727, MCULE-8796709282, NE11820, BP-10862, BP-13405, S873, ST008470, DB-012233, TC-168412, A4906, CS-0028226, FT-0713845, EN300-43404, ethyl 3-amino-5-methylpyrazole-4-carboxylate, AB00997425-01, 286A706, AJ-077/25078001, BRD-K80709463-001-01-2, I14-61753, 3-Methyl-5-amino-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylicacid, 3-amino-5-methyl-, ethyl ester, C7H11N3O2, CID683559, ZINC00049645, 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, N/A,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.184g/mol
Monoisotopic Mass	169.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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