1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone

C12H15F3N4O3S — CID 131694175

IUPAC1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(CC1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)N1CCC1
InChIInChI=1S/C12H15F3N4O3S/c13-12(14,15)23(21,22)18-7-9-2-3-16-19(9)10(8-18)6-11(20)17-4-1-5-17/h2-3,10H,1,4-8H2
InChIKeyUMGCPXAASJSCCQ-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.71
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone

1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 131694175) has the molecular formula C12H15F3N4O3S and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID131694175
Molecular FormulaC12H15F3N4O3S
Molecular Weight352.34 g/mol
Exact Mass352.08
IUPAC Name1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(CC1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)N1CCC1
InChIInChI=1S/C12H15F3N4O3S/c13-12(14,15)23(21,22)18-7-9-2-3-16-19(9)10(8-18)6-11(20)17-4-1-5-17/h2-3,10H,1,4-8H2
InChIKeyUMGCPXAASJSCCQ-UHFFFAOYSA-N
XLogP0.71
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-1-yl)-2-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 131693451
1-(azetidin-1-yl)-2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155864066
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894
2-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-1-morpholin-4-ylethanone
CID 131638868
1-(3,3-difluoroazetidin-1-yl)-2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155861648
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101
2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155851845
N-[2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155861935
2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844178
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678549
1-[[5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 133135712

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone (CID 131694175) is 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone is O=C(CC1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is UMGCPXAASJSCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3S/c13-12(14,15)23(21,22)18-7-9-2-3-16-19(9)10(8-18)6-11(20)17-4-1-5-17/h2-3,10H,1,4-8H2.
What are the key properties of 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 352.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 131694175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).