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

C14H13F4N3O3 — CID 175449075

IUPAC4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid
SMILESCCc1c(-c2ccc(F)cn2)nn(C(F)C(O)C(F)F)c1C(=O)O
InChIInChI=1S/C14H13F4N3O3/c1-2-7-9(8-4-3-6(15)5-19-8)20-21(10(7)14(23)24)13(18)11(22)12(16)17/h3-5,11-13,22H,2H2,1H3,(H,23,24)
InChIKeyKDZNNKBYAXQEGK-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.44
Rot. Bonds6

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

4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid (PubChem CID 175449075) has the molecular formula C14H13F4N3O3 and a molecular weight of 347.27 g/mol. Its IUPAC name is 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid
PubChem CID175449075
Molecular FormulaC14H13F4N3O3
Molecular Weight347.27 g/mol
Exact Mass347.09
IUPAC Name4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid
SMILESCCc1c(-c2ccc(F)cn2)nn(C(F)C(O)C(F)F)c1C(=O)O
InChIInChI=1S/C14H13F4N3O3/c1-2-7-9(8-4-3-6(15)5-19-8)20-21(10(7)14(23)24)13(18)11(22)12(16)17/h3-5,11-13,22H,2H2,1H3,(H,23,24)
InChIKeyKDZNNKBYAXQEGK-UHFFFAOYSA-N
XLogP2.44
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid (CID 175449075) is 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid is CCc1c(-c2ccc(F)cn2)nn(C(F)C(O)C(F)F)c1C(=O)O.
What is the InChIKey of 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid?
The InChIKey is KDZNNKBYAXQEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O3/c1-2-7-9(8-4-3-6(15)5-19-8)20-21(10(7)14(23)24)13(18)11(22)12(16)17/h3-5,11-13,22H,2H2,1H3,(H,23,24).
What are the key properties of 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid?
4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid has a molecular weight of 347.27 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(5-fluoro-2-pyridinyl)-1-(1,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 175449075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).