5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid

C13H13FN2O2 — CID 117373137

IUPAC5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1ccc(F)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C13H13FN2O2/c1-3-8-4-5-10(14)9(6-8)12-7-11(13(17)18)15-16(12)2/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOQUYKPKBMTUXHS-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.49
Rot. Bonds3

About 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid

5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117373137) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117373137
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1ccc(F)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C13H13FN2O2/c1-3-8-4-5-10(14)9(6-8)12-7-11(13(17)18)15-16(12)2/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOQUYKPKBMTUXHS-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
5-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117449714
5-(5-chloro-2-ethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117416117
1-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 115111505
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
5-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117373140
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117453356
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(5-chloro-2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117425068
5-(5-chloro-3-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992126
5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117475284

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid (CID 117373137) is 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid is CCc1ccc(F)c(-c2cc(C(=O)O)nn2C)c1.
What is the InChIKey of 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is OQUYKPKBMTUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-8-4-5-10(14)9(6-8)12-7-11(13(17)18)15-16(12)2/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid?
5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).