1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid

C14H16N2O4 — CID 39375252

IUPAC1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(-n2nc(C)c(C(=O)O)c2C)c1
InChIInChI=1S/C14H16N2O4/c1-8-13(14(17)18)9(2)16(15-8)11-7-10(19-3)5-6-12(11)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyXSSKVONGGKFLQP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.20
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid

1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 39375252) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID39375252
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(-n2nc(C)c(C(=O)O)c2C)c1
InChIInChI=1S/C14H16N2O4/c1-8-13(14(17)18)9(2)16(15-8)11-7-10(19-3)5-6-12(11)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyXSSKVONGGKFLQP-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-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

1-(5-amino-2-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 82514238
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-4-methoxybenzoic acid
CID 81302139
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-sulfonyl chloride
CID 169248208
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 39375252) is 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid is COc1ccc(OC)c(-n2nc(C)c(C(=O)O)c2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is XSSKVONGGKFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-13(14(17)18)9(2)16(15-8)11-7-10(19-3)5-6-12(11)20-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 39375252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).