1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C17H24F3N3O2 — CID 118167002

IUPAC1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(c2ccnn2C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-16(25,17(18,19)20)15(24)22-10-7-12(8-11-22)14-6-9-21-23(14)13-4-2-3-5-13/h6,9,12-13,25H,2-5,7-8,10-11H2,1H3
InChIKeyCPERJAREIFVVIP-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.02
Rot. Bonds3

About 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 118167002) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID118167002
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(c2ccnn2C2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-16(25,17(18,19)20)15(24)22-10-7-12(8-11-22)14-6-9-21-23(14)13-4-2-3-5-13/h6,9,12-13,25H,2-5,7-8,10-11H2,1H3
InChIKeyCPERJAREIFVVIP-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 118167002) is 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(O)(C(=O)N1CCC(c2ccnn2C2CCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is CPERJAREIFVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(25,17(18,19)20)15(24)22-10-7-12(8-11-22)14-6-9-21-23(14)13-4-2-3-5-13/h6,9,12-13,25H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 359.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopentylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 118167002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).