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

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Related Compounds

4-Fluoro-3-(3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid
CID 139507742
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
CID 2798301
4-((3-cyclohexyl-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzoic acid
CID 53323247
1-Benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 15991008
1-Cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 118735614
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
CID 2798291
5-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 26365928
Benzoic acid, 4-methoxy-3-(1-methyl-1H-pyrazol-3-yl)-
CID 71757915
2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)-1-phenylethanone
CID 45485635
(4-methoxy-2-methylphenyl){methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}acetic acid
CID 72893091
Methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate
CID 75422749
4-[5-(4-Methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid
CID 164627570

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).