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

C11H16FN3O — CID 169135666

IUPAC2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one
SMILESCCC(F)C(=O)N1CCn2nccc2C1C
InChIInChI=1S/C11H16FN3O/c1-3-9(12)11(16)14-6-7-15-10(8(14)2)4-5-13-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyQMVVYOWRPPRQLO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.53
Rot. Bonds2

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

2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one (PubChem CID 169135666) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one
PubChem CID169135666
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one
SMILESCCC(F)C(=O)N1CCn2nccc2C1C
InChIInChI=1S/C11H16FN3O/c1-3-9(12)11(16)14-6-7-15-10(8(14)2)4-5-13-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyQMVVYOWRPPRQLO-UHFFFAOYSA-N
XLogP1.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.53
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-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one?
The IUPAC name of 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one (CID 169135666) is 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one.
What is the SMILES notation for 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one?
The canonical SMILES for 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one is CCC(F)C(=O)N1CCn2nccc2C1C.
What is the InChIKey of 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one?
The InChIKey is QMVVYOWRPPRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-9(12)11(16)14-6-7-15-10(8(14)2)4-5-13-15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one?
2-fluoro-1-(4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one has a molecular weight of 225.27 g/mol, XLogP of 1.53, 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-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one is sourced from PubChem (CID 169135666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).