5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid

C23H20N4O3 — CID 71211731

IUPAC5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
SMILESCOc1ccc(Nc2cc(-c3ccc(C)cc3)nn2-c2ccccn2)c(C(=O)O)c1
InChIInChI=1S/C23H20N4O3/c1-15-6-8-16(9-7-15)20-14-22(27(26-20)21-5-3-4-12-24-21)25-19-11-10-17(30-2)13-18(19)23(28)29/h3-14,25H,1-2H3,(H,28,29)
InChIKeyHYVJGQFSZYFVLS-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.69
Rot. Bonds6

About 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid

5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid (PubChem CID 71211731) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
PubChem CID71211731
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
SMILESCOc1ccc(Nc2cc(-c3ccc(C)cc3)nn2-c2ccccn2)c(C(=O)O)c1
InChIInChI=1S/C23H20N4O3/c1-15-6-8-16(9-7-15)20-14-22(27(26-20)21-5-3-4-12-24-21)25-19-11-10-17(30-2)13-18(19)23(28)29/h3-14,25H,1-2H3,(H,28,29)
InChIKeyHYVJGQFSZYFVLS-UHFFFAOYSA-N
XLogP4.69
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-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

5-methoxy-2-[[1-(2-methylphenyl)-3-(4-methylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69277760
2-[[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 154060061
5-methoxy-2-[[1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276897
2-[[3-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 154060064
2-[[3-tert-butyl-1-(2,6-dimethylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 10069159
2-[[1-(3,6-dimethylpyrazin-2-yl)-3-(3-methoxyphenyl)pyrazol-5-yl]amino]-5-(trifluoromethoxy)benzoic acid
CID 71211665
5-methoxy-2-[(3-methyl-1,4-diphenylpyrazol-5-yl)amino]benzoic acid
CID 69276977
2-[[3-tert-butyl-1-(2-methylsulfanylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 10409368
2-[[3-(3-ethylphenyl)-1-(3-methyl-2-pyridinyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 71211734
5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
CID 69276880
2-[[1-(2-ethylphenyl)-3-methyl-4-quinoxalin-6-ylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46176000
5-methoxy-2-[[3-methyl-1-(2-methylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazol-5-yl]amino]benzoic acid
CID 46175252

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid (CID 71211731) is 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid is COc1ccc(Nc2cc(-c3ccc(C)cc3)nn2-c2ccccn2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid?
The InChIKey is HYVJGQFSZYFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-6-8-16(9-7-15)20-14-22(27(26-20)21-5-3-4-12-24-21)25-19-11-10-17(30-2)13-18(19)23(28)29/h3-14,25H,1-2H3,(H,28,29).
What are the key properties of 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid?
5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid has a molecular weight of 400.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid is sourced from PubChem (CID 71211731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).