4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid

C23H17N3O3 — CID 11509231

IUPAC4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-22(17-11-13-18(14-12-17)23(28)29)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)(H,28,29)
InChIKeyKEIDNLMMSFKEKK-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.49
Rot. Bonds5

About 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid

4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid (PubChem CID 11509231) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid
PubChem CID11509231
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-22(17-11-13-18(14-12-17)23(28)29)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)(H,28,29)
InChIKeyKEIDNLMMSFKEKK-UHFFFAOYSA-N
XLogP4.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
CID 5330976
3-Phenylacetamidoaminopyrazole deriv. 38
CID 5331006
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
3-Methyl-4-({3-[3-Methyl-5-(Trifluoromethyl)phenyl]-1h-Pyrazol-5-Yl}carbamoyl)benzoic Acid
CID 91801171
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 11246786
4-[3-[[(5R)-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pentan-3-yl]benzoic acid
CID 136071531
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid (CID 11509231) is 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid?
The InChIKey is KEIDNLMMSFKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(17-11-13-18(14-12-17)23(28)29)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)(H,28,29).
What are the key properties of 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid?
4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid has a molecular weight of 383.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-diphenylpyrazol-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 11509231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).