2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

C13H20FN3O — CID 169135357

IUPAC2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCC(F)C(=O)N1CCn2nc(C(C)C)cc2C1C
InChIInChI=1S/C13H20FN3O/c1-8(2)11-7-12-10(4)16(13(18)9(3)14)5-6-17(12)15-11/h7-10H,5-6H2,1-4H3
InChIKeyXBUSPJDMYBJRNR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds2

About 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (PubChem CID 169135357) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
PubChem CID169135357
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCC(F)C(=O)N1CCn2nc(C(C)C)cc2C1C
InChIInChI=1S/C13H20FN3O/c1-8(2)11-7-12-10(4)16(13(18)9(3)14)5-6-17(12)15-11/h7-10H,5-6H2,1-4H3
InChIKeyXBUSPJDMYBJRNR-UHFFFAOYSA-N
XLogP2.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The IUPAC name of 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (CID 169135357) is 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The canonical SMILES for 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is CC(F)C(=O)N1CCn2nc(C(C)C)cc2C1C.
What is the InChIKey of 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The InChIKey is XBUSPJDMYBJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-8(2)11-7-12-10(4)16(13(18)9(3)14)5-6-17(12)15-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is sourced from PubChem (CID 169135357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).