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

C14H16N2O2 — CID 39348257

IUPAC1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1ccc(-n2nc(C)c(C(=O)O)c2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-6-12(9(2)7-8)16-11(4)13(14(17)18)10(3)15-16/h5-7H,1-4H3,(H,17,18)
InChIKeyQWXBTGNGFGKEJQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds2

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

1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 39348257) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID39348257
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1ccc(-n2nc(C)c(C(=O)O)c2C)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-6-12(9(2)7-8)16-11(4)13(14(17)18)10(3)15-16/h5-7H,1-4H3,(H,17,18)
InChIKeyQWXBTGNGFGKEJQ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 39348257) is 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid is Cc1ccc(-n2nc(C)c(C(=O)O)c2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is QWXBTGNGFGKEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-6-12(9(2)7-8)16-11(4)13(14(17)18)10(3)15-16/h5-7H,1-4H3,(H,17,18).
What are the key properties of 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 39348257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).