4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid

C15H15N3O3 — CID 146136886

IUPAC4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(12-7-16-18(9-12)8-10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-7,9-10H,1-2,8H2,(H,17,19)(H,20,21)
InChIKeyJYGAAQAXPRKYIK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.24
Rot. Bonds5

About 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid

4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid (PubChem CID 146136886) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
PubChem CID146136886
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(12-7-16-18(9-12)8-10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-7,9-10H,1-2,8H2,(H,17,19)(H,20,21)
InChIKeyJYGAAQAXPRKYIK-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]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

4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid
CID 136556389
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 146135721
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid (CID 146136886) is 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cnn(CC3CC3)c2)cc1.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid?
The InChIKey is JYGAAQAXPRKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(12-7-16-18(9-12)8-10-1-2-10)17-13-5-3-11(4-6-13)15(20)21/h3-7,9-10H,1-2,8H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid?
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 146136886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).