4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

C13H14N2O4 — CID 82485414

IUPAC4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2c(C(=O)O)n[nH]c2C)c1
InChIInChI=1S/C13H14N2O4/c1-7-11(12(13(16)17)15-14-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyPYVXBDBBOIPIHW-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.10
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 82485414) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID82485414
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2c(C(=O)O)n[nH]c2C)c1
InChIInChI=1S/C13H14N2O4/c1-7-11(12(13(16)17)15-14-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyPYVXBDBBOIPIHW-UHFFFAOYSA-N
XLogP2.10
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82474333
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
ethyl 3-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381738

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 82485414) is 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is COc1ccc(OC)c(-c2c(C(=O)O)n[nH]c2C)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is PYVXBDBBOIPIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-11(12(13(16)17)15-14-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82485414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).