1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine

C14H22F3N3O2 — CID 53303988

IUPAC1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine
SMILESCC(C)Cn1nc(C(F)(F)F)cc1OC1CCN(O)CC1C
InChIInChI=1S/C14H22F3N3O2/c1-9(2)7-20-13(6-12(18-20)14(15,16)17)22-11-4-5-19(21)8-10(11)3/h6,9-11,21H,4-5,7-8H2,1-3H3
InChIKeyPWVOUYDHEPEUCH-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.04
Rot. Bonds4

About 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine

1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine (PubChem CID 53303988) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine
PubChem CID53303988
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine
SMILESCC(C)Cn1nc(C(F)(F)F)cc1OC1CCN(O)CC1C
InChIInChI=1S/C14H22F3N3O2/c1-9(2)7-20-13(6-12(18-20)14(15,16)17)22-11-4-5-19(21)8-10(11)3/h6,9-11,21H,4-5,7-8H2,1-3H3
InChIKeyPWVOUYDHEPEUCH-UHFFFAOYSA-N
XLogP3.04
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 71495595
(1R,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 71495693
2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210685
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanethioamide
CID 19616581
(2S)-2-methyl-N-(4-methylcyclohexyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51391361
[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol
CID 76901141
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45154034
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 35527896
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59356390
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
CID 102787102
1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 19622818

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine?
The IUPAC name of 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine (CID 53303988) is 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine.
What is the SMILES notation for 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine?
The canonical SMILES for 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine is CC(C)Cn1nc(C(F)(F)F)cc1OC1CCN(O)CC1C.
What is the InChIKey of 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine?
The InChIKey is PWVOUYDHEPEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-9(2)7-20-13(6-12(18-20)14(15,16)17)22-11-4-5-19(21)8-10(11)3/h6,9-11,21H,4-5,7-8H2,1-3H3.
What are the key properties of 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine?
1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine has a molecular weight of 321.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidine is sourced from PubChem (CID 53303988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).