3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid

C16H12N2O2 — CID 3880862

IUPAC3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyASSWJYJXKAHOPX-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3880862) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID3880862
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyASSWJYJXKAHOPX-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 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid (CID 3880862) is 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ASSWJYJXKAHOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)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 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-phenylphenyl)-1H-pyrazole-5-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 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3880862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).