1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone

C10H11F3N2O — CID 63755329

IUPAC1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cnn(C2CCCC2)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)7-5-14-15(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyVSAZMHWIUAZWGB-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.74
Rot. Bonds2

About 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone

1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone (PubChem CID 63755329) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone
PubChem CID63755329
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cnn(C2CCCC2)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)7-5-14-15(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyVSAZMHWIUAZWGB-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone 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

2,2,2-trifluoro-1-(1-(propan-2-yl)-1H-pyrazol-4-yl)ethan-1-one
CID 63754238
2,2,2-Trifluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
CID 80099174
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 3596939
2,2,2-trifluoro-1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]ethan-1-one
CID 63753688
1-[1-(butan-2-yl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one
CID 63754964
2,2,2-Trifluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886865
2,2-Difluoro-1-[1-(propan-2-yl)-1h-pyrazol-4-yl]ethan-1-one
CID 122192580
1-(1-Butan-2-ylpyrazol-4-yl)-2,2-difluoroethanone
CID 122192581
2,2-Difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 122192582
2,2-Difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
CID 122192583
1-(1-Cyclopentylpyrazol-4-yl)-2,2-difluoroethanone
CID 122192584
2-Fluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
CID 122192589

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone (CID 63755329) is 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone is O=C(c1cnn(C2CCCC2)c1)C(F)(F)F.
What is the InChIKey of 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is VSAZMHWIUAZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9(16)7-5-14-15(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone?
1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 232.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 63755329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).