[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C14H17F3N6O2 — CID 28641930

IUPAC[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C14H17F3N6O2/c15-14(16,17)12-5-11(19-20-12)13(25)22-3-1-9(2-4-22)6-23-7-10(8-24)18-21-23/h5,7,9,24H,1-4,6,8H2,(H,19,20)
InChIKeyYAPDTQMBDHHMDH-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.06
Rot. Bonds4

About [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 28641930) has the molecular formula C14H17F3N6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID28641930
Molecular FormulaC14H17F3N6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C14H17F3N6O2/c15-14(16,17)12-5-11(19-20-12)13(25)22-3-1-9(2-4-22)6-23-7-10(8-24)18-21-23/h5,7,9,24H,1-4,6,8H2,(H,19,20)
InChIKeyYAPDTQMBDHHMDH-UHFFFAOYSA-N
XLogP1.06
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

{1-[1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-YL]-1H-1,2,3-triazol-4-YL}methanol
CID 132333643
(1,5-Dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 170285557
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 19514910
[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 19514911
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 19514912
[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 28358222
2-[3-(1-{[3-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}piperidin-3-yl)-1H-pyrazol-1-yl]ethanol
CID 119069840
1-{[3-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 121508563
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126444376
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126444377
trans-1-{[5-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-(2-pyrazinylmethyl)-3-pyrrolidinol
CID 135087209
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 166254332

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 28641930) is [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is YAPDTQMBDHHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2/c15-14(16,17)12-5-11(19-20-12)13(25)22-3-1-9(2-4-22)6-23-7-10(8-24)18-21-23/h5,7,9,24H,1-4,6,8H2,(H,19,20).
What are the key properties of [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 358.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 28641930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).