5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid

C14H16N2O3 — CID 2798292

IUPAC5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
SMILESCOc1ccc(-c2c(C)nn(C)c2C)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O3/c1-8-13(9(2)16(3)15-8)11-6-5-10(19-4)7-12(11)14(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeyTUKQPRWMZYZWIM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds3

About 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid

5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid (PubChem CID 2798292) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
PubChem CID2798292
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
SMILESCOc1ccc(-c2c(C)nn(C)c2C)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O3/c1-8-13(9(2)16(3)15-8)11-6-5-10(19-4)7-12(11)14(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeyTUKQPRWMZYZWIM-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-(1,3,5-trimethylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid (CID 2798292) is 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid is COc1ccc(-c2c(C)nn(C)c2C)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid?
The InChIKey is TUKQPRWMZYZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-13(9(2)16(3)15-8)11-6-5-10(19-4)7-12(11)14(17)18/h5-7H,1-4H3,(H,17,18).
What are the key properties of 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid?
5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 2798292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).