5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid

C24H21N3O3 — CID 69276977

IUPAC5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid
SMILESCOc1ccc(Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H21N3O3/c1-16-22(17-9-5-3-6-10-17)23(27(26-16)18-11-7-4-8-12-18)25-21-14-13-19(30-2)15-20(21)24(28)29/h3-15,25H,1-2H3,(H,28,29)
InChIKeyXJQGUYCIQKKDKB-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.30
Rot. Bonds6

About 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid

5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid (PubChem CID 69276977) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid
PubChem CID69276977
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid
SMILESCOc1ccc(Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H21N3O3/c1-16-22(17-9-5-3-6-10-17)23(27(26-16)18-11-7-4-8-12-18)25-21-14-13-19(30-2)15-20(21)24(28)29/h3-15,25H,1-2H3,(H,28,29)
InChIKeyXJQGUYCIQKKDKB-UHFFFAOYSA-N
XLogP5.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_G(1)', 'substructure': 'N/A'}

Analyze 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-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

Related Compounds

2-[[1-(5-fluoro-2-methylphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 154060049
5-methoxy-2-[[3-methyl-1-(2-methylphenyl)-4-(5-methylthiophen-3-yl)pyrazol-5-yl]amino]benzoic acid
CID 59649790
2-[[4-(5-acetylthiophen-3-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 59649844
5-methoxy-2-[[3-methyl-1-(2-methylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazol-5-yl]amino]benzoic acid
CID 46175252
2-[[1-(2-ethylphenyl)-3-methyl-4-quinoxalin-6-ylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46176000
2-[[1-(2-chlorophenyl)-3-methyl-4-quinoxalin-6-ylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46175738
2-[[4-(5-ethylthiophen-3-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 59649771
2-[[4-(1H-indazol-5-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46175998
2-[[4-(4-cyanothiophen-3-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 69309471
methyl 2-[[4-(4-benzoylphenyl)-1-(5-chloro-2-methylphenyl)-3-methylpyrazol-5-yl]amino]-5-methoxybenzoate
CID 58958625
2-[[4-(4-acetyl-5-methoxy-1,3-thiazol-2-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 59649874
2-[[3-tert-butyl-1-(2-methylphenyl)-4-thiophen-3-ylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 59649806

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid (CID 69276977) is 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid is COc1ccc(Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid?
The InChIKey is XJQGUYCIQKKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-22(17-9-5-3-6-10-17)23(27(26-16)18-11-7-4-8-12-18)25-21-14-13-19(30-2)15-20(21)24(28)29/h3-15,25H,1-2H3,(H,28,29).
What are the key properties of 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid?
5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid has a molecular weight of 399.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid is sourced from PubChem (CID 69276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).