4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid

C14H15N3O3 — CID 50887848

IUPAC4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
SMILESCC(=O)Nc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C14H15N3O3/c1-8-13(15-10(3)18)9(2)17(16-8)12-6-4-11(5-7-12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyKRDUSKCOJUNPDG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.15
Rot. Bonds3

About 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid

4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid (PubChem CID 50887848) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
PubChem CID50887848
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
SMILESCC(=O)Nc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C14H15N3O3/c1-8-13(15-10(3)18)9(2)17(16-8)12-6-4-11(5-7-12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyKRDUSKCOJUNPDG-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)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

1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
4-O-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239640
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
2,2,2-trifluoroethyl N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]carbamate
CID 54592538
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
4-(5-acetyl-4-methyltriazol-1-yl)benzoic acid
CID 175679347
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8904097

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid (CID 50887848) is 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid is CC(=O)Nc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C.
What is the InChIKey of 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid?
The InChIKey is KRDUSKCOJUNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-13(15-10(3)18)9(2)17(16-8)12-6-4-11(5-7-12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid?
4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 50887848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).