1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid

C14H16N2O2 — CID 82294230

IUPAC1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C)c(-c2c(C(=O)O)cnn2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-9(2)12(10(3)6-8)13-11(14(17)18)7-15-16(13)4/h5-7H,1-4H3,(H,17,18)
InChIKeyCXRMHGWUWZMJTF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.71
Rot. Bonds2

About 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid

1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82294230) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
PubChem CID82294230
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C)c(-c2c(C(=O)O)cnn2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-9(2)12(10(3)6-8)13-11(14(17)18)7-15-16(13)4/h5-7H,1-4H3,(H,17,18)
InChIKeyCXRMHGWUWZMJTF-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid (CID 82294230) is 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid is Cc1cc(C)c(-c2c(C(=O)O)cnn2C)c(C)c1.
What is the InChIKey of 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is CXRMHGWUWZMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-9(2)12(10(3)6-8)13-11(14(17)18)7-15-16(13)4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid?
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82294230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).