2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol

C9H8F3N3OS — CID 104732234

IUPAC2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
SMILESOCCSc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)7-5-6-8(17-4-3-16)13-1-2-15(6)14-7/h1-2,5,16H,3-4H2
InChIKeyNWSJWQWZIMSGCC-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.83
Rot. Bonds3

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

2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol (PubChem CID 104732234) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
PubChem CID104732234
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
SMILESOCCSc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)7-5-6-8(17-4-3-16)13-1-2-15(6)14-7/h1-2,5,16H,3-4H2
InChIKeyNWSJWQWZIMSGCC-UHFFFAOYSA-N
XLogP1.83
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine
CID 42629298
(2E)-1-[ethyl-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)amino]-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propan-1-ol
CID 144834906
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-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 104732238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol?
The IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol (CID 104732234) is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol is OCCSc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol?
The InChIKey is NWSJWQWZIMSGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c10-9(11,12)7-5-6-8(17-4-3-16)13-1-2-15(6)14-7/h1-2,5,16H,3-4H2.
What are the key properties of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol?
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol has a molecular weight of 263.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol is sourced from PubChem (CID 104732234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).