4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

C14H13N3O3 — CID 5330976

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)
InChIKeyXOKMDOXIMWIBTG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.24
Rot. Bonds4

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (PubChem CID 5330976) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
PubChem CID5330976
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)
InChIKeyXOKMDOXIMWIBTG-UHFFFAOYSA-N
XLogP2.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 38
CID 5331006
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
3-Methyl-4-({3-[3-Methyl-5-(Trifluoromethyl)phenyl]-1h-Pyrazol-5-Yl}carbamoyl)benzoic Acid
CID 91801171
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
CID 5330945
3-(Benzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992586
2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
CID 2814386
4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
CID 51094234
4-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]benzoic acid
CID 137640287
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]benzoic acid
CID 124002327

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (CID 5330976) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The InChIKey is XOKMDOXIMWIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 5330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).