4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid

C17H12N2O4 — CID 1478023

IUPAC4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H12N2O4/c20-15-4-2-1-3-14(15)16(21)12-9-18-19(10-12)13-7-5-11(6-8-13)17(22)23/h1-10,20H,(H,22,23)
InChIKeyYQGKRZHXRPCXLV-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid

4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid (PubChem CID 1478023) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid
PubChem CID1478023
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H12N2O4/c20-15-4-2-1-3-14(15)16(21)12-9-18-19(10-12)13-7-5-11(6-8-13)17(22)23/h1-10,20H,(H,22,23)
InChIKeyYQGKRZHXRPCXLV-UHFFFAOYSA-N
XLogP2.51
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]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 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid (CID 1478023) is 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1.
What is the InChIKey of 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid?
The InChIKey is YQGKRZHXRPCXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-15-4-2-1-3-14(15)16(21)12-9-18-19(10-12)13-7-5-11(6-8-13)17(22)23/h1-10,20H,(H,22,23).
What are the key properties of 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid?
4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid has a molecular weight of 308.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 1478023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).