1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol

C10H14F3N3O — CID 163407532

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol
SMILESOc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-15-3-1-8(2-4-15)16-6-9(17)5-14-16/h5-6,8,17H,1-4,7H2
InChIKeyDXDVVFPGRQNKFR-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.79
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol (PubChem CID 163407532) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol
PubChem CID163407532
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol
SMILESOc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-15-3-1-8(2-4-15)16-6-9(17)5-14-16/h5-6,8,17H,1-4,7H2
InChIKeyDXDVVFPGRQNKFR-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol (CID 163407532) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol is Oc1cnn(C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol?
The InChIKey is DXDVVFPGRQNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7-15-3-1-8(2-4-15)16-6-9(17)5-14-16/h5-6,8,17H,1-4,7H2.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol has a molecular weight of 249.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-ol is sourced from PubChem (CID 163407532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).