956181-55-8
3-(4-ISOPROPYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name3-(4-ISOPROPYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
3-(4-ISOPROPYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06357370
【English Synonyms】
【Formula】
C19 H18 N2 O2
【MolWeight】
306.363
【Inchi】
InChI=1S/C19H18N2O2/c1-13(2)14-8-10-15(11-9-14)18-17(19(22)23)12-21(20-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
【InChIKey】
InChIKey=OEAMTQVYPYFSGQ-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)O
【MOL File】
3-(4-ISOPROPYLPHENYL….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
3-(4-ISOPROPYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml