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

C9H12F3N3O — CID 126655319

IUPAC(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESO[C@]1(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)/t8-/m1/s1
InChIKeyRXFPPFIYBQHJNB-MRVPVSSYSA-N
MW235.21 g/mol
LogP1.30
Rot. Bonds1

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

(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 126655319) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
PubChem CID126655319
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
SMILESO[C@]1(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)/t8-/m1/s1
InChIKeyRXFPPFIYBQHJNB-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol (CID 126655319) is (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is O[C@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is RXFPPFIYBQHJNB-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol?
(3R)-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 (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 126655319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).