4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid

C11H10FN3O2 — CID 90003991

IUPAC4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCCc1cn(-c2ccc(F)cn2)nc1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-2-7-6-15(14-10(7)11(16)17)9-4-3-8(12)5-13-9/h3-6H,2H2,1H3,(H,16,17)
InChIKeyLJTCVLYADVLUES-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.67
Rot. Bonds3

About 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid

4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 90003991) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID90003991
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCCc1cn(-c2ccc(F)cn2)nc1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-2-7-6-15(14-10(7)11(16)17)9-4-3-8(12)5-13-9/h3-6H,2H2,1H3,(H,16,17)
InChIKeyLJTCVLYADVLUES-UHFFFAOYSA-N
XLogP1.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid (CID 90003991) is 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid is CCc1cn(-c2ccc(F)cn2)nc1C(=O)O.
What is the InChIKey of 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is LJTCVLYADVLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-2-7-6-15(14-10(7)11(16)17)9-4-3-8(12)5-13-9/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid?
4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 90003991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).