5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid

C13H14N2O3 — CID 82513661

IUPAC5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
SMILESCOc1ccc(-n2nc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)10-4-5-12(18-3)11(7-10)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyARVSZNCJZSFQQC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.20
Rot. Bonds3

About 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid

5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid (PubChem CID 82513661) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
PubChem CID82513661
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
SMILESCOc1ccc(-n2nc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)10-4-5-12(18-3)11(7-10)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyARVSZNCJZSFQQC-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339133
3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
CID 71308083
1-(3-amino-4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82513717
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170
5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376
5-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-methoxybenzoic acid
CID 40789040
methyl 4-(3,5-dimethylpyrazol-1-yl)-2-sulfamoylbenzoate
CID 14837214
2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid
CID 18464702
4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138559912

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid (CID 82513661) is 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid is COc1ccc(-n2nc(C)cc2C)cc1C(=O)O.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid?
The InChIKey is ARVSZNCJZSFQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)10-4-5-12(18-3)11(7-10)13(16)17/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid?
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 82513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).