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

C18H26F3N3O2 — CID 118167028

IUPAC1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(c2ccnn2C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-17(26,18(19,20)21)16(25)23-11-8-13(9-12-23)15-7-10-22-24(15)14-5-3-2-4-6-14/h7,10,13-14,26H,2-6,8-9,11-12H2,1H3
InChIKeyBDVVDGMXBBVOHI-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.41
Rot. Bonds3

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

1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 118167028) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID118167028
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(c2ccnn2C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-17(26,18(19,20)21)16(25)23-11-8-13(9-12-23)15-7-10-22-24(15)14-5-3-2-4-6-14/h7,10,13-14,26H,2-6,8-9,11-12H2,1H3
InChIKeyBDVVDGMXBBVOHI-UHFFFAOYSA-N
XLogP3.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 118167028) is 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(O)(C(=O)N1CCC(c2ccnn2C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is BDVVDGMXBBVOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-17(26,18(19,20)21)16(25)23-11-8-13(9-12-23)15-7-10-22-24(15)14-5-3-2-4-6-14/h7,10,13-14,26H,2-6,8-9,11-12H2,1H3.
What are the key properties of 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 373.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 118167028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).