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3-(3-{[1,1'-biphenyl]-4-yl}-1-phenylpyrazol-4-yl)prop-2-enoic acid

3-(3-{[1,1'-biphenyl]-4-yl}-1-phenylpyrazol-4-yl)prop-2-enoic acid

Formula: C24H18N2O2

SMILES: OC(=O)C=CC1=CN(N=C1C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-(3-{[1,1'-biphenyl]-4-yl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid

InChI: InChI=1S/C24H18N2O2/c27-23(28)16-15-21-17-26(22-9-5-2-6-10-22)25-24(21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1-17H,(H,27,28)

Composition: C (78.67%), H (4.95%), N (7.65%), O (8.73%)

Molar Mass: 366.42

Atom Count: 46

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 366.136827828
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MTNAVQZPGXQKGS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.32
Topological Polar Surface Area 55.12
Polarizability 45.26
Ring Count 4
Rotatable Bond Count 5

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