2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol

C9H12F3N3O — CID 82587028

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-13-2-1-7(6)15(14-8)3-4-16/h13,16H,1-5H2
InChIKeyRMVMOGYWUBNKDR-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.54
Rot. Bonds2

About 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol (PubChem CID 82587028) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
PubChem CID82587028
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-13-2-1-7(6)15(14-8)3-4-16/h13,16H,1-5H2
InChIKeyRMVMOGYWUBNKDR-UHFFFAOYSA-N
XLogP0.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol (CID 82587028) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol is OCCn1nc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
The InChIKey is RMVMOGYWUBNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-13-2-1-7(6)15(14-8)3-4-16/h13,16H,1-5H2.
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol has a molecular weight of 235.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol is sourced from PubChem (CID 82587028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).