3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid

C14H14ClN3O3 — CID 102810278

IUPAC3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cc(Cl)cc(C(=O)O)c1
InChIInChI=1S/C14H14ClN3O3/c1-3-12-11(7-18(2)17-12)13(19)16-10-5-8(14(20)21)4-9(15)6-10/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKKYDPPKGDUFNGO-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.59
Rot. Bonds4

About 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid

3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 102810278) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
PubChem CID102810278
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cc(Cl)cc(C(=O)O)c1
InChIInChI=1S/C14H14ClN3O3/c1-3-12-11(7-18(2)17-12)13(19)16-10-5-8(14(20)21)4-9(15)6-10/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKKYDPPKGDUFNGO-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)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-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
3-chloro-5-(3-ethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107957714
N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811355
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141
N-(4-carbamothioyl-2-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107808537
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102810224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid (CID 102810278) is 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid is CCc1nn(C)cc1C(=O)Nc1cc(Cl)cc(C(=O)O)c1.
What is the InChIKey of 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is KKYDPPKGDUFNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-12-11(7-18(2)17-12)13(19)16-10-5-8(14(20)21)4-9(15)6-10/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid?
3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 307.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102810278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).