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

C19H25F5N4O4 — CID 155861648

IUPAC1-(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
SMILESO=C(CC1CN(CC2CCOCC2)Cc2ccnn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24F2N4O2.C2HF3O2/c18-17(19)11-22(12-17)16(24)7-15-10-21(8-13-2-5-25-6-3-13)9-14-1-4-20-23(14)15;3-2(4,5)1(6)7/h1,4,13,15H,2-3,5-12H2;(H,6,7)
InChIKeyLZXGJCXIIHQUGK-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.17
Rot. Bonds4

About 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

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 (PubChem CID 155861648) has the molecular formula C19H25F5N4O4 and a molecular weight of 468.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID155861648
Molecular FormulaC19H25F5N4O4
Molecular Weight468.42 g/mol
Exact Mass468.18
IUPAC Name1-(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
SMILESO=C(CC1CN(CC2CCOCC2)Cc2ccnn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24F2N4O2.C2HF3O2/c18-17(19)11-22(12-17)16(24)7-15-10-21(8-13-2-5-25-6-3-13)9-14-1-4-20-23(14)15;3-2(4,5)1(6)7/h1,4,13,15H,2-3,5-12H2;(H,6,7)
InChIKeyLZXGJCXIIHQUGK-UHFFFAOYSA-N
XLogP2.17
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863961
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
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
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155862879
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-[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
2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155854390
1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 131694175
5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CC1CN(CC2CCOCC2)Cc2ccnn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LZXGJCXIIHQUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2.C2HF3O2/c18-17(19)11-22(12-17)16(24)7-15-10-21(8-13-2-5-25-6-3-13)9-14-1-4-20-23(14)15;3-2(4,5)1(6)7/h1,4,13,15H,2-3,5-12H2;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 468.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155861648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).