5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C14H12F2N4O — CID 107523095

IUPAC5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNC(Cn1ccn2nccc2c1=O)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4O/c15-9-1-2-10(11(16)7-9)12(17)8-19-5-6-20-13(14(19)21)3-4-18-20/h1-7,12H,8,17H2
InChIKeyKLFYSOGLAUIDFC-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.47
Rot. Bonds3

About 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 107523095) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID107523095
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNC(Cn1ccn2nccc2c1=O)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4O/c15-9-1-2-10(11(16)7-9)12(17)8-19-5-6-20-13(14(19)21)3-4-18-20/h1-7,12H,8,17H2
InChIKeyKLFYSOGLAUIDFC-UHFFFAOYSA-N
XLogP1.47
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
CID 107522608
5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735255
5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446773
5-[(2-amino-6-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734485
1-(2,4-difluorophenyl)-2-(2-propylimidazol-1-yl)ethanamine
CID 107522682
5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735161
3-fluoro-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735515
5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734857
5-[2-cyclopropyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734789
5-[2-cyclopentyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748219
5-[3-methyl-2-(propylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734766
5-[3-(cyclopropylamino)-2-methylpropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446769

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 107523095) is 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is NC(Cn1ccn2nccc2c1=O)c1ccc(F)cc1F.
What is the InChIKey of 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KLFYSOGLAUIDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-9-1-2-10(11(16)7-9)12(17)8-19-5-6-20-13(14(19)21)3-4-18-20/h1-7,12H,8,17H2.
What are the key properties of 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 290.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 107523095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).