4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid

C22H18N2O2 — CID 2853037

IUPAC4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
InChIKeyLRYRYLONUXSKTL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.74
Rot. Bonds4

About 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid

4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid (PubChem CID 2853037) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid
PubChem CID2853037
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
InChIKeyLRYRYLONUXSKTL-UHFFFAOYSA-N
XLogP4.74
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60194756
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CID 680471
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CID 46914884
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CID 46915029
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CID 46915045
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CID 46915640
CID 46915640

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid?
The IUPAC name of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid (CID 2853037) is 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid?
The canonical SMILES for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid is O=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid?
The InChIKey is LRYRYLONUXSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26).
What are the key properties of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid?
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid has a molecular weight of 342.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid is sourced from PubChem (CID 2853037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).