CAS Registry Number: 872407-85-7

Name:

Benzoic acid, 3-​(5-​amino-​3-​methyl-​1H-​pyrazol-​1-​yl)​-

Chemical Formula: C11H11N3O2
Exact Mass: 217.09
Molecular Weight: 217.22
m/z: 217.09 (100.0%), 218.09 (12.1%), 219.09 (1.2%), 218.08 (1.1%)

InChI: InChI=1S/C11H11N3O2/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKey: WYIPQANVZXIEJJ-UHFFFAOYSA-N
Canonical SMILES : CC1=NN(C(=C1)N)C2=CC=CC(=C2)C(=O)O

Specification

98%

European Journal of Medicinal Chemistry (2005), 40(12), 1377-1383.