784140-39-2
1H-PYRAZOLE-3-CARBOXAMIDE, 1-(4'-CHLORO[1,1'-BIPHENYL]-3-YL)-5-METHYL-
Name1H-PYRAZOLE-3-CARBOXAMIDE, 1-(4'-CHLORO[1,1'-BIPHENYL]-3-YL)-5-METHYL-
1Identification
【Name】
1H-PYRAZOLE-3-CARBOXAMIDE, 1-(4'-CHLORO[1,1'-BIPHENYL]-3-YL)-5-METHYL-
【CAS】
【MDL】
MFCD13195206
【English Synonyms】
【Formula】
C17 H14 Cl N3 O
【MolWeight】
311.771
【Inchi】
InChI=1S/C17H14ClN3O/c1-11-9-16(17(19)22)20-21(11)15-4-2-3-13(10-15)12-5-7-14(18)8-6-12/h2-10H,1H3,(H2,19,22)
【InChIKey】
InChIKey=XFLDJLUYXPWBAK-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1c2cccc(c2)c3ccc(cc3)Cl)C(=O)N
【MOL File】
1H-PYRAZOLE-3-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-3-CARBOXAMIDE, 1-(4'-CHLORO[1,1'-BIPHENYL]-3-YL)-5-METHYL-.cml