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

C11H12F3N3OS — CID 107771049

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12F3N3OS/c1-6(18)7(2)19-10-8-5-9(11(12,13)14)16-17(8)4-3-15-10/h3-7,18H,1-2H3
InChIKeyIWXLVSGRYSFJPK-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.61
Rot. Bonds3

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol (PubChem CID 107771049) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol
PubChem CID107771049
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12F3N3OS/c1-6(18)7(2)19-10-8-5-9(11(12,13)14)16-17(8)4-3-15-10/h3-7,18H,1-2H3
InChIKeyIWXLVSGRYSFJPK-UHFFFAOYSA-N
XLogP2.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol (CID 107771049) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol is CC(O)C(C)Sc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol?
The InChIKey is IWXLVSGRYSFJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-6(18)7(2)19-10-8-5-9(11(12,13)14)16-17(8)4-3-15-10/h3-7,18H,1-2H3.
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol has a molecular weight of 291.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107771049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).