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

C12H16F3N3O2S — CID 119103086

IUPAC2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)3-6-21(19,20)17-4-5-18-10(8-17)7-11(16-18)9-1-2-9/h7,9H,1-6,8H2
InChIKeyOLEBAJKDZUPXPP-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.86
Rot. Bonds4

About 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 119103086) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID119103086
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)3-6-21(19,20)17-4-5-18-10(8-17)7-11(16-18)9-1-2-9/h7,9H,1-6,8H2
InChIKeyOLEBAJKDZUPXPP-UHFFFAOYSA-N
XLogP1.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 119103086) is 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is O=S(=O)(CCC(F)(F)F)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is OLEBAJKDZUPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)3-6-21(19,20)17-4-5-18-10(8-17)7-11(16-18)9-1-2-9/h7,9H,1-6,8H2.
What are the key properties of 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 323.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3,3,3-trifluoropropylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 119103086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).