5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid

C14H16N2O3 — CID 82301586

IUPAC5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1cc(C)c(C)cc1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H16N2O3/c1-8-5-10(12(19-4)6-9(8)2)13-11(14(17)18)7-15-16(13)3/h5-7H,1-4H3,(H,17,18)
InChIKeyNXMQWJDYGJNQBT-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds3

About 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid

5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 82301586) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID82301586
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1cc(C)c(C)cc1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H16N2O3/c1-8-5-10(12(19-4)6-9(8)2)13-11(14(17)18)7-15-16(13)3/h5-7H,1-4H3,(H,17,18)
InChIKeyNXMQWJDYGJNQBT-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-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
1-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid
CID 82488960
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146225350
5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108884
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629806
5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 143452151
5-(3,5-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 154381214
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-methyl-5-(1-methylimidazol-4-yl)pyrazole-4-carboxylic acid
CID 127019917

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid (CID 82301586) is 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid is COc1cc(C)c(C)cc1-c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is NXMQWJDYGJNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-5-10(12(19-4)6-9(8)2)13-11(14(17)18)7-15-16(13)3/h5-7H,1-4H3,(H,17,18).
What are the key properties of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic 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-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82301586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).