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

C11H12F3N3OS — CID 104732243

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol
SMILESCC(CCO)Sc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12F3N3OS/c1-7(2-5-18)19-10-8-6-9(11(12,13)14)16-17(8)4-3-15-10/h3-4,6-7,18H,2,5H2,1H3
InChIKeyKBIPYZCOGIXASK-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.61
Rot. Bonds4

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol (PubChem CID 104732243) 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-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol
PubChem CID104732243
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol
SMILESCC(CCO)Sc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12F3N3OS/c1-7(2-5-18)19-10-8-6-9(11(12,13)14)16-17(8)4-3-15-10/h3-4,6-7,18H,2,5H2,1H3
InChIKeyKBIPYZCOGIXASK-UHFFFAOYSA-N
XLogP2.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

(2E)-1-[ethyl-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)amino]-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propan-1-ol
CID 144834906
1-[Methyl-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)amino]-3-(3,3,3-trifluoropropylsulfinyl)propan-1-ol
CID 146840188
3-Ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 150535072
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730076
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730080
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetic acid
CID 104730085
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730109
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 104730119
Methyl 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoate
CID 104730123
Methyl 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoate
CID 104730128
2-Methyl-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730139
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
CID 104732234

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol (CID 104732243) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol is CC(CCO)Sc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol?
The InChIKey is KBIPYZCOGIXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-7(2-5-18)19-10-8-6-9(11(12,13)14)16-17(8)4-3-15-10/h3-4,6-7,18H,2,5H2,1H3.
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol has a molecular weight of 291.30 g/mol, XLogP of 2.61, 4 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-1-ol is sourced from PubChem (CID 104732243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).