1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C13H20F3N3O — CID 75500665

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-3-11-10(8-18(2)17-11)9-19-6-4-12(20,5-7-19)13(14,15)16/h8,20H,3-7,9H2,1-2H3
InChIKeyWAYVGEOFCNSXJV-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.87
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75500665) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75500665
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-3-11-10(8-18(2)17-11)9-19-6-4-12(20,5-7-19)13(14,15)16/h8,20H,3-7,9H2,1-2H3
InChIKeyWAYVGEOFCNSXJV-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75500665) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CCc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is WAYVGEOFCNSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-11-10(8-18(2)17-11)9-19-6-4-12(20,5-7-19)13(14,15)16/h8,20H,3-7,9H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 291.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75500665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).