4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid

C12H12N2O3 — CID 63961786

IUPAC4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccnn1C
InChIInChI=1S/C12H12N2O3/c1-14-10(5-6-13-14)9-7-8(12(15)16)3-4-11(9)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyXQZYXBDTTWRQHY-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.79
Rot. Bonds3

About 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid

4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid (PubChem CID 63961786) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid
PubChem CID63961786
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccnn1C
InChIInChI=1S/C12H12N2O3/c1-14-10(5-6-13-14)9-7-8(12(15)16)3-4-11(9)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyXQZYXBDTTWRQHY-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid (CID 63961786) is 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid is COc1ccc(C(=O)O)cc1-c1ccnn1C.
What is the InChIKey of 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid?
The InChIKey is XQZYXBDTTWRQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-10(5-6-13-14)9-7-8(12(15)16)3-4-11(9)17-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid?
4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 63961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).