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4-(4-chlorophenyl)-5-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}-1-[3-(trifluoromethyl)benzoyl]pyrazole

4-(4-chlorophenyl)-5-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}-1-[3-(trifluoromethyl)benzoyl]pyrazole

CAS: 477762-87-1

Formula: C32H23ClF4N2O

SMILES: CCCC1=CC(F)=C(C=C1)C1=CC=C(C=C1)C1=C(C=NN1C(=O)C1=CC(=CC=C1)C(F)(F)F)C1=CC=C(Cl)C=C1

IUPAC: 4-(4-chlorophenyl)-5-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}-1-[3-(trifluoromethyl)benzoyl]-1H-pyrazole

InChI: InChI=1S/C32H23ClF4N2O/c1-2-4-20-7-16-27(29(34)17-20)21-8-10-23(11-9-21)30-28(22-12-14-26(33)15-13-22)19-38-39(30)31(40)24-5-3-6-25(18-24)32(35,36)37/h3,5-19H,2,4H2,1H3

Composition: C (68.27%), H (4.12%), Cl (6.30%), F (13.50%), N (4.98%), O (2.84%)

Molar Mass: 562.99

Atom Count: 63

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 562.1435037
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VZFCTMAXJXFMNJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 150.21
Topological Polar Surface Area 34.89
Polarizability 59.29
Ring Count 5
Rotatable Bond Count 7

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