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

C15H17N3O3 — CID 66121497

IUPAC4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
SMILESCCc1cc(C(=O)NCc2ccc(C(=O)O)cc2)n(C)n1
InChIInChI=1S/C15H17N3O3/c1-3-12-8-13(18(2)17-12)14(19)16-9-10-4-6-11(7-5-10)15(20)21/h4-8H,3,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKEBGNKHKTRAJBV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds5

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

4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid (PubChem CID 66121497) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
PubChem CID66121497
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
SMILESCCc1cc(C(=O)NCc2ccc(C(=O)O)cc2)n(C)n1
InChIInChI=1S/C15H17N3O3/c1-3-12-8-13(18(2)17-12)14(19)16-9-10-4-6-11(7-5-10)15(20)21/h4-8H,3,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKEBGNKHKTRAJBV-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(4-carbamothioylphenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121907
3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008422
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120501
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-amino-4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121495
4-[[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]methyl]benzoic acid
CID 122088642
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid (CID 66121497) is 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid is CCc1cc(C(=O)NCc2ccc(C(=O)O)cc2)n(C)n1.
What is the InChIKey of 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid?
The InChIKey is KEBGNKHKTRAJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-12-8-13(18(2)17-12)14(19)16-9-10-4-6-11(7-5-10)15(20)21/h4-8H,3,9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid?
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 66121497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).