1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid

C13H13FN2O2 — CID 122568449

IUPAC1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
SMILESCCn1ncc(-c2ccc(F)c(C)c2)c1C(=O)O
InChIInChI=1S/C13H13FN2O2/c1-3-16-12(13(17)18)10(7-15-16)9-4-5-11(14)8(2)6-9/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOLTQRSPPJQAKER-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.72
Rot. Bonds3

About 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid

1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 122568449) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID122568449
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
SMILESCCn1ncc(-c2ccc(F)c(C)c2)c1C(=O)O
InChIInChI=1S/C13H13FN2O2/c1-3-16-12(13(17)18)10(7-15-16)9-4-5-11(14)8(2)6-9/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOLTQRSPPJQAKER-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-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

2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
CID 66098697
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
5-(4-chlorophenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82036544
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]acetic acid
CID 82222559
4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82362385
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]butanoic acid
CID 82222561
1-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxylic acid
CID 155912394
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 116864179
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
6-(4-fluoro-3-methylphenyl)-1-(2-methoxyethyl)pyrazolo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 155386097
4-(4-fluoro-3-methylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824076

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid (CID 122568449) is 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid is CCn1ncc(-c2ccc(F)c(C)c2)c1C(=O)O.
What is the InChIKey of 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is OLTQRSPPJQAKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-16-12(13(17)18)10(7-15-16)9-4-5-11(14)8(2)6-9/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid?
1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 122568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).