[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol

C16H16F6N4O2 — CID 76901141

IUPAC[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol
SMILESOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)10-1-2-13(23-8-10)25-5-3-11(4-6-25)28-14-7-12(16(20,21)22)24-26(14)9-27/h1-2,7-8,11,27H,3-6,9H2
InChIKeyDGHNKNRZTNAVKD-UHFFFAOYSA-N
MW410.32 g/mol
LogP3.31
Rot. Bonds4

About [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol

[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol (PubChem CID 76901141) has the molecular formula C16H16F6N4O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol
PubChem CID76901141
Molecular FormulaC16H16F6N4O2
Molecular Weight410.32 g/mol
Exact Mass410.12
IUPAC Name[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol
SMILESOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)10-1-2-13(23-8-10)25-5-3-11(4-6-25)28-14-7-12(16(20,21)22)24-26(14)9-27/h1-2,7-8,11,27H,3-6,9H2
InChIKeyDGHNKNRZTNAVKD-UHFFFAOYSA-N
XLogP3.31
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59356390
(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-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 71495595
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[5-(trifluoromethyl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyphenoxy]propan-1-amine
CID 154558513
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol (CID 76901141) is [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol is OCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol?
The InChIKey is DGHNKNRZTNAVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O2/c17-15(18,19)10-1-2-13(23-8-10)25-5-3-11(4-6-25)28-14-7-12(16(20,21)22)24-26(14)9-27/h1-2,7-8,11,27H,3-6,9H2.
What are the key properties of [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol?
[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol has a molecular weight of 410.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol is sourced from PubChem (CID 76901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).