1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C13H20F3N3O — CID 100663549

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)n1ccc(CN2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N3O/c1-10(2)19-6-3-11(17-19)9-18-7-4-12(20,5-8-18)13(14,15)16/h3,6,10,20H,4-5,7-9H2,1-2H3
InChIKeyXKTRWRJJBMBWAN-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.35
Rot. Bonds3

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 100663549) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID100663549
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)n1ccc(CN2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N3O/c1-10(2)19-6-3-11(17-19)9-18-7-4-12(20,5-8-18)13(14,15)16/h3,6,10,20H,4-5,7-9H2,1-2H3
InChIKeyXKTRWRJJBMBWAN-UHFFFAOYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 100663549) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CC(C)n1ccc(CN2CCC(O)(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is XKTRWRJJBMBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-10(2)19-6-3-11(17-19)9-18-7-4-12(20,5-8-18)13(14,15)16/h3,6,10,20H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 291.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 100663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).