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

C14H22F3N3O — CID 134331677

IUPAC2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C14H22F3N3O/c1-10(2)12-9-13(14(15,16)17)18-20(12)11-3-5-19(6-4-11)7-8-21/h9-11,21H,3-8H2,1-2H3
InChIKeyXICNNHKCAMSSPW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.65
Rot. Bonds4

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

2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 134331677) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID134331677
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C14H22F3N3O/c1-10(2)12-9-13(14(15,16)17)18-20(12)11-3-5-19(6-4-11)7-8-21/h9-11,21H,3-8H2,1-2H3
InChIKeyXICNNHKCAMSSPW-UHFFFAOYSA-N
XLogP2.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
[1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4,4-difluoropiperidin-3-yl]methanol
CID 124051235
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol
CID 164642587
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190
1-[4-(1,3-Diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 23557459
2-(3-isopropyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 44469050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (CID 134331677) is 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is CC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is XICNNHKCAMSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10(2)12-9-13(14(15,16)17)18-20(12)11-3-5-19(6-4-11)7-8-21/h9-11,21H,3-8H2,1-2H3.
What are the key properties of 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 305.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 134331677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).