3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid

C22H16N4O3 — CID 2423896

IUPAC3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C22H16N4O3/c27-21(24-17-6-4-5-16(13-17)22(28)29)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27)(H,28,29)
InChIKeyWYHWZAKEXCDANO-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.88
Rot. Bonds5

About 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid

3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 2423896) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid
PubChem CID2423896
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C22H16N4O3/c27-21(24-17-6-4-5-16(13-17)22(28)29)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27)(H,28,29)
InChIKeyWYHWZAKEXCDANO-UHFFFAOYSA-N
XLogP3.88
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-phenyl-3-pyridin-4-ylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid (CID 2423896) is 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is WYHWZAKEXCDANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-21(24-17-6-4-5-16(13-17)22(28)29)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27)(H,28,29).
What are the key properties of 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid?
3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 384.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 2423896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).