1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid

C14H16N2O2 — CID 82294247

IUPAC1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-4-12-11(14(17)18)8-16(15-12)13-6-5-9(2)7-10(13)3/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyAVHVVONQKJEIJR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.75
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid (PubChem CID 82294247) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
PubChem CID82294247
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-4-12-11(14(17)18)8-16(15-12)13-6-5-9(2)7-10(13)3/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyAVHVVONQKJEIJR-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.75
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-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid (CID 82294247) is 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid is CCc1nn(-c2ccc(C)cc2C)cc1C(=O)O.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid?
The InChIKey is AVHVVONQKJEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-12-11(14(17)18)8-16(15-12)13-6-5-9(2)7-10(13)3/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid?
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.75, 3 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-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82294247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).