2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid

C18H17N3O3 — CID 2727739

IUPAC2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
SMILESCOc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H17N3O3/c1-12-11-17(19-16-6-4-3-5-15(16)18(22)23)21(20-12)13-7-9-14(24-2)10-8-13/h3-11,19H,1-2H3,(H,22,23)
InChIKeySWTXFXAFIQBLQQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.63
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid

2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid (PubChem CID 2727739) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
PubChem CID2727739
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
SMILESCOc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H17N3O3/c1-12-11-17(19-16-6-4-3-5-15(16)18(22)23)21(20-12)13-7-9-14(24-2)10-8-13/h3-11,19H,1-2H3,(H,22,23)
InChIKeySWTXFXAFIQBLQQ-UHFFFAOYSA-N
XLogP3.63
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]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 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid (CID 2727739) is 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid is COc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The InChIKey is SWTXFXAFIQBLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-11-17(19-16-6-4-3-5-15(16)18(22)23)21(20-12)13-7-9-14(24-2)10-8-13/h3-11,19H,1-2H3,(H,22,23).
What are the key properties of 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid has a molecular weight of 323.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]amino]benzoic acid is sourced from PubChem (CID 2727739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).