5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid

C16H12N2O2 — CID 28948764

IUPAC5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-10-17-18-15(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyQXQFNNDCZBLZOU-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.44
Rot. Bonds3

About 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid

5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 28948764) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID28948764
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-10-17-18-15(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyQXQFNNDCZBLZOU-UHFFFAOYSA-N
XLogP3.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid (CID 28948764) is 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is QXQFNNDCZBLZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)14-10-17-18-15(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid?
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 28948764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).