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

C10H10F3N3OS — CID 104732248

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
SMILESOCCCSc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)8-6-7-9(18-5-1-4-17)14-2-3-16(7)15-8/h2-3,6,17H,1,4-5H2
InChIKeyDYNUGHKPHWXJPO-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.22
Rot. Bonds4

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol (PubChem CID 104732248) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
PubChem CID104732248
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
SMILESOCCCSc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)8-6-7-9(18-5-1-4-17)14-2-3-16(7)15-8/h2-3,6,17H,1,4-5H2
InChIKeyDYNUGHKPHWXJPO-UHFFFAOYSA-N
XLogP2.22
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]sulfanylpropan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol (CID 104732248) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol is OCCCSc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol?
The InChIKey is DYNUGHKPHWXJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c11-10(12,13)8-6-7-9(18-5-1-4-17)14-2-3-16(7)15-8/h2-3,6,17H,1,4-5H2.
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol has a molecular weight of 277.27 g/mol, XLogP of 2.22, 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]sulfanylpropan-1-ol is sourced from PubChem (CID 104732248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).