5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid

C14H14FN3O3 — CID 102810114

IUPAC5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H14FN3O3/c1-3-12-10(7-18(2)17-12)13(19)16-8-4-5-11(15)9(6-8)14(20)21/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKVPZAQFLSQUNQB-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.07
Rot. Bonds4

About 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid (PubChem CID 102810114) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
PubChem CID102810114
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H14FN3O3/c1-3-12-10(7-18(2)17-12)13(19)16-8-4-5-11(15)9(6-8)14(20)21/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKVPZAQFLSQUNQB-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic 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

3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
CID 102810278
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182
2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510456
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811355
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 136538752
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid (CID 102810114) is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid is CCc1nn(C)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is KVPZAQFLSQUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-3-12-10(7-18(2)17-12)13(19)16-8-4-5-11(15)9(6-8)14(20)21/h4-7H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid?
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid has a molecular weight of 291.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 102810114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).