4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid

C24H20N2O2 — CID 6181910

IUPAC4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)20-12-15-22(16-13-20)26-23(19-9-5-2-6-10-19)17-21(25-26)14-11-18-7-3-1-4-8-18/h1-16,23H,17H2,(H,27,28)/b14-11+
InChIKeyFJLJZHZLKZABLY-SDNWHVSQSA-N
MW368.44 g/mol
LogP5.41
Rot. Bonds5

About 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid

4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid (PubChem CID 6181910) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid
PubChem CID6181910
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)20-12-15-22(16-13-20)26-23(19-9-5-2-6-10-19)17-21(25-26)14-11-18-7-3-1-4-8-18/h1-16,23H,17H2,(H,27,28)/b14-11+
InChIKeyFJLJZHZLKZABLY-SDNWHVSQSA-N
XLogP5.41
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid?
The IUPAC name of 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid (CID 6181910) is 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid?
The canonical SMILES for 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid is O=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid?
The InChIKey is FJLJZHZLKZABLY-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(28)20-12-15-22(16-13-20)26-23(19-9-5-2-6-10-19)17-21(25-26)14-11-18-7-3-1-4-8-18/h1-16,23H,17H2,(H,27,28)/b14-11+.
What are the key properties of 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid?
4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid has a molecular weight of 368.44 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid is sourced from PubChem (CID 6181910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).