3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid

C13H14N2O3 — CID 71308083

IUPAC3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1nc(C)cc1C
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)11-7-10(13(16)17)4-5-12(11)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyDUQZCVLLRKTZHB-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.20
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid (PubChem CID 71308083) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
PubChem CID71308083
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-n1nc(C)cc1C
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)11-7-10(13(16)17)4-5-12(11)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyDUQZCVLLRKTZHB-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic 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-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661
4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
CID 82513143
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzamide
CID 100906401
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzoic acid
CID 63743437
5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376
3-borono-4-methoxybenzoic acid
CID 42614541
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
CID 82514468
2-(2-methoxy-5-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 177047233
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
CID 84695435

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid (CID 71308083) is 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-n1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid?
The InChIKey is DUQZCVLLRKTZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)11-7-10(13(16)17)4-5-12(11)18-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid?
3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid is sourced from PubChem (CID 71308083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).