5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid

C13H15ClN4O2 — CID 107464497

IUPAC5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
SMILESCCc1nn(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C13H15ClN4O2/c1-3-10-11(6-18(2)17-10)16-12-8(13(19)20)4-7(15)5-9(12)14/h4-6,16H,3,15H2,1-2H3,(H,19,20)
InChIKeyCYWZQUVHWJOLPK-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.66
Rot. Bonds4

About 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid

5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid (PubChem CID 107464497) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
PubChem CID107464497
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
SMILESCCc1nn(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C13H15ClN4O2/c1-3-10-11(6-18(2)17-10)16-12-8(13(19)20)4-7(15)5-9(12)14/h4-6,16H,3,15H2,1-2H3,(H,19,20)
InChIKeyCYWZQUVHWJOLPK-UHFFFAOYSA-N
XLogP2.66
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-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-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzoic acid
CID 107464514
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464499
ethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464500
4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 103910781
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2,3-difluorobenzoic acid
CID 107463581
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
methyl 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464519
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
CID 107192996

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid (CID 107464497) is 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid is CCc1nn(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid?
The InChIKey is CYWZQUVHWJOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-10-11(6-18(2)17-10)16-12-8(13(19)20)4-7(15)5-9(12)14/h4-6,16H,3,15H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid?
5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid is sourced from PubChem (CID 107464497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).