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

C9H12F3N3O — CID 126655317

IUPAC1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7/h2,4,16H,1,3,5-6H2,(H,13,14)
InChIKeyRXFPPFIYBQHJNB-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.30
Rot. Bonds1

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

1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 126655317) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
PubChem CID126655317
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7/h2,4,16H,1,3,5-6H2,(H,13,14)
InChIKeyRXFPPFIYBQHJNB-UHFFFAOYSA-N
XLogP1.30
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
CID 141330208
ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 145270682
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
CID 145270934
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 170346897

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (CID 126655317) is 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is OC1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is RXFPPFIYBQHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8(16)3-1-5-15(6-8)7-2-4-13-14-7/h2,4,16H,1,3,5-6H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 235.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 126655317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).