1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C12H18F3N3O — CID 75500667

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3O/c1-2-18-9-10(7-16-18)8-17-5-3-11(19,4-6-17)12(13,14)15/h7,9,19H,2-6,8H2,1H3
InChIKeyPVWUKJRKGNLORU-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.79
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75500667) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75500667
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3O/c1-2-18-9-10(7-16-18)8-17-5-3-11(19,4-6-17)12(13,14)15/h7,9,19H,2-6,8H2,1H3
InChIKeyPVWUKJRKGNLORU-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
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-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75500667) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is PVWUKJRKGNLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-18-9-10(7-16-18)8-17-5-3-11(19,4-6-17)12(13,14)15/h7,9,19H,2-6,8H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 277.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75500667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).