5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C9H12F3N3O2S — CID 119101454

IUPAC5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCn2nccc2C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)2-6-18(16,17)14-4-5-15-8(7-14)1-3-13-15/h1,3H,2,4-7H2
InChIKeyFNXIIWQIOJBHGK-UHFFFAOYSA-N
MW283.27 g/mol
LogP0.98
Rot. Bonds3

About 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 119101454) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID119101454
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCn2nccc2C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)2-6-18(16,17)14-4-5-15-8(7-14)1-3-13-15/h1,3H,2,4-7H2
InChIKeyFNXIIWQIOJBHGK-UHFFFAOYSA-N
XLogP0.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 119101454) is 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is O=S(=O)(CCC(F)(F)F)N1CCn2nccc2C1.
What is the InChIKey of 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is FNXIIWQIOJBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)2-6-18(16,17)14-4-5-15-8(7-14)1-3-13-15/h1,3H,2,4-7H2.
What are the key properties of 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 283.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 119101454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).