957320-19-3
METHYL 1-PHENYL-5-(4-PHENYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
NameMETHYL 1-PHENYL-5-(4-PHENYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
1Identification
【Name】
METHYL 1-PHENYL-5-(4-PHENYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD06245439
【English Synonyms】
【Formula】
C23 H18 N2 O2
【MolWeight】
354.407
【Inchi】
InChI=1S/C23H18N2O2/c1-27-23(26)21-16-22(25(24-21)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3
【InChIKey】
InChIKey=QJPWDGHSTDNORX-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc(n(n1)c2ccccc2)c3ccc(cc3)c4ccccc4
【MOL File】
METHYL 1-PHENYL-5-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 1-PHENYL-5-(4-PHENYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE.cml