ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol

C11H18F3N3O — CID 145270682

IUPACethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESCC.OC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3O.C2H6/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7;1-2/h2,4,16H,1,3,5-6H2,(H,13,14);1-2H3
InChIKeyHYUCCQZEMHVTQB-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.33
Rot. Bonds1

About ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol

ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 145270682) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
PubChem CID145270682
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Nameethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESCC.OC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3O.C2H6/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7;1-2/h2,4,16H,1,3,5-6H2,(H,13,14);1-2H3
InChIKeyHYUCCQZEMHVTQB-UHFFFAOYSA-N
XLogP2.33
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655513
4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655635
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 162598610
3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655295
1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655304
(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol
CID 126655343
(3S)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol
CID 126655346

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (CID 145270682) is ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is CC.OC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is HYUCCQZEMHVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O.C2H6/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7;1-2/h2,4,16H,1,3,5-6H2,(H,13,14);1-2H3.
What are the key properties of ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 265.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 145270682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).