3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid

C14H16N2O3 — CID 166260181

IUPAC3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid
SMILESCOc1c(C)nn(-c2cccc(C(=O)O)c2C)c1C
InChIInChI=1S/C14H16N2O3/c1-8-11(14(17)18)6-5-7-12(8)16-10(3)13(19-4)9(2)15-16/h5-7H,1-4H3,(H,17,18)
InChIKeyUGDDSOJZAPUSML-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.50
Rot. Bonds3

About 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid

3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid (PubChem CID 166260181) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid
PubChem CID166260181
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid
SMILESCOc1c(C)nn(-c2cccc(C(=O)O)c2C)c1C
InChIInChI=1S/C14H16N2O3/c1-8-11(14(17)18)6-5-7-12(8)16-10(3)13(19-4)9(2)15-16/h5-7H,1-4H3,(H,17,18)
InChIKeyUGDDSOJZAPUSML-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid?
The IUPAC name of 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid (CID 166260181) is 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid is COc1c(C)nn(-c2cccc(C(=O)O)c2C)c1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid?
The InChIKey is UGDDSOJZAPUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-11(14(17)18)6-5-7-12(8)16-10(3)13(19-4)9(2)15-16/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid?
3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid is sourced from PubChem (CID 166260181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).