1,5-diphenylpyrazole-4-carboxylic acid

C16H12N2O2 — CID 3801066

IUPAC1,5-diphenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChIKeyXFYHUVOWHZCRFB-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.24
Rot. Bonds3

About 1,5-diphenylpyrazole-4-carboxylic acid

1,5-diphenylpyrazole-4-carboxylic acid (PubChem CID 3801066) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1,5-diphenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,5-diphenylpyrazole-4-carboxylic acid
PubChem CID3801066
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1,5-diphenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChIKeyXFYHUVOWHZCRFB-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpyrazole-4-carboxylic acid?
The IUPAC name of 1,5-diphenylpyrazole-4-carboxylic acid (CID 3801066) is 1,5-diphenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1,5-diphenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1,5-diphenylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,5-diphenylpyrazole-4-carboxylic acid?
The InChIKey is XFYHUVOWHZCRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20).
What are the key properties of 1,5-diphenylpyrazole-4-carboxylic acid?
1,5-diphenylpyrazole-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3801066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).