863752-91-4
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
Name1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD16619975
【English Synonyms】
【Formula】
C9 H13 N3 O
【MolWeight】
179.222
【Inchi】
InChI=1S/C9H13N3O/c1-6(2)4-7-5-8(9(10)13)11-12(7)3/h4-5H,1-3H3,(H2,10,13)
【InChIKey】
InChIKey=LVUWJTBGRIIXBT-UHFFFAOYSA-N
【SMILES】
CC(=Cc1cc(nn1C)C(=O)N)C
【MOL File】
1-METHYL-5-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-5-(2-METHYL-1-PROPEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE.cml