3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C13H18F3N3O — CID 75358380

IUPAC3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2,(H,18,20)
InChIKeyJGDDSNXCZPDNEZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.35
Rot. Bonds5

About 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 75358380) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID75358380
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2,(H,18,20)
InChIKeyJGDDSNXCZPDNEZ-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 75358380) is 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is O=C(CCC1CCCC1)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is JGDDSNXCZPDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)9-19-8-11(7-17-19)18-12(20)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2,(H,18,20).
What are the key properties of 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 75358380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).