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

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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).