2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol

C12H18F3N3O — CID 118149713

IUPAC2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C12H18F3N3O/c1-9-8-11(12(13,14)15)16-18(9)10-2-4-17(5-3-10)6-7-19/h8,10,19H,2-7H2,1H3
InChIKeyHNLMPIZGTZIHQC-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 118149713) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID118149713
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C12H18F3N3O/c1-9-8-11(12(13,14)15)16-18(9)10-2-4-17(5-3-10)6-7-19/h8,10,19H,2-7H2,1H3
InChIKeyHNLMPIZGTZIHQC-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (CID 118149713) is 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is Cc1cc(C(F)(F)F)nn1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is HNLMPIZGTZIHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9-8-11(12(13,14)15)16-18(9)10-2-4-17(5-3-10)6-7-19/h8,10,19H,2-7H2,1H3.
What are the key properties of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 118149713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).