792953-06-1
1H-PYRAZOLE-4-CARBOXAMIDE, 5-AMINO-1-(2,3-DIMETHYLPHENYL)-
Name1H-PYRAZOLE-4-CARBOXAMIDE, 5-AMINO-1-(2,3-DIMETHYLPHENYL)-
1Identification
【Name】
1H-PYRAZOLE-4-CARBOXAMIDE, 5-AMINO-1-(2,3-DIMETHYLPHENYL)-
【CAS】
【MDL】
MFCD18809680
【English Synonyms】
【Formula】
C12 H14 N4 O
【MolWeight】
230.27
【Inchi】
InChI=1S/C12H14N4O/c1-7-4-3-5-10(8(7)2)16-11(13)9(6-15-16)12(14)17/h3-6H,13H2,1-2H3,(H2,14,17)
【InChIKey】
InChIKey=WLUFNAZMDYSHGC-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)n2c(c(cn2)C(=O)N)N
【MOL File】
1H-PYRAZOLE-4-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-4-CARBOXAMIDE, 5-AMINO-1-(2,3-DIMETHYLPHENYL)-.cml