2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid

C13H14N2O3 — CID 146225350

IUPAC2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-4-12(18-3)11(13(16)17)5-10(8)9-6-14-15(2)7-9/h4-7H,1-3H3,(H,16,17)
InChIKeyVACHTZMUCSNPEU-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.10
Rot. Bonds3

About 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid

2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid (PubChem CID 146225350) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
PubChem CID146225350
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-4-12(18-3)11(13(16)17)5-10(8)9-6-14-15(2)7-9/h4-7H,1-3H3,(H,16,17)
InChIKeyVACHTZMUCSNPEU-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-methyl-5-(1-methylpyrazol-4-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

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82301586
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-b]pyridazin-5-yl]-2-methoxy-4-methylbenzoic acid
CID 66763514
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide
CID 165115872
1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 25247975
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid?
The IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid (CID 146225350) is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid is COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid?
The InChIKey is VACHTZMUCSNPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-12(18-3)11(13(16)17)5-10(8)9-6-14-15(2)7-9/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid?
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 146225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).