(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol

C11H11F3N4O — CID 104892889

IUPAC(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)9-5-8-10(15-2-4-18(8)16-9)17-3-1-7(19)6-17/h2,4-5,7,19H,1,3,6H2/t7-/m0/s1
InChIKeyYYMMNOKBKWCPEY-ZETCQYMHSA-N
MW272.23 g/mol
LogP1.32
Rot. Bonds1

About (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol

(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol (PubChem CID 104892889) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
PubChem CID104892889
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)9-5-8-10(15-2-4-18(8)16-9)17-3-1-7(19)6-17/h2,4-5,7,19H,1,3,6H2/t7-/m0/s1
InChIKeyYYMMNOKBKWCPEY-ZETCQYMHSA-N
XLogP1.32
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol (CID 104892889) is (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol is O[C@H]1CCN(c2nccn3nc(C(F)(F)F)cc23)C1.
What is the InChIKey of (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol?
The InChIKey is YYMMNOKBKWCPEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)9-5-8-10(15-2-4-18(8)16-9)17-3-1-7(19)6-17/h2,4-5,7,19H,1,3,6H2/t7-/m0/s1.
What are the key properties of (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol?
(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol has a molecular weight of 272.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104892889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).