4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid

C23H16N2O3 — CID 1042669

IUPAC4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-22(17-12-6-2-7-13-17)19-20(23(27)28)24-25(18-14-8-3-9-15-18)21(19)16-10-4-1-5-11-16/h1-15H,(H,27,28)
InChIKeySWCGFPYTBVJJQK-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.47
Rot. Bonds5

About 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid

4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid (PubChem CID 1042669) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid
PubChem CID1042669
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-22(17-12-6-2-7-13-17)19-20(23(27)28)24-25(18-14-8-3-9-15-18)21(19)16-10-4-1-5-11-16/h1-15H,(H,27,28)
InChIKeySWCGFPYTBVJJQK-UHFFFAOYSA-N
XLogP4.47
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid (CID 1042669) is 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid?
The InChIKey is SWCGFPYTBVJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-22(17-12-6-2-7-13-17)19-20(23(27)28)24-25(18-14-8-3-9-15-18)21(19)16-10-4-1-5-11-16/h1-15H,(H,27,28).
What are the key properties of 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid?
4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1,5-diphenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 1042669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).