2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C16H17N3O2 — CID 126709570

IUPAC2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(=O)c1nn2c(c1C)C(=O)NCC2Cc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-10-14(11(2)20)18-19-13(9-17-16(21)15(10)19)8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,17,21)
InChIKeyKDXLZBVENZVDNE-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.92
Rot. Bonds3

About 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 126709570) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID126709570
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(=O)c1nn2c(c1C)C(=O)NCC2Cc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-10-14(11(2)20)18-19-13(9-17-16(21)15(10)19)8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,17,21)
InChIKeyKDXLZBVENZVDNE-UHFFFAOYSA-N
XLogP1.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

methyl 7-benzyl-3-butoxy-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713341
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713340
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 73319659
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
2-benzyl-N,N-diethyl-5-methylpiperazine-1-carboxamide
CID 82250593
(5S)-4-benzyl-1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53301817
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
ethyl 2-(3-benzyl-8-bromo-4,5-dihydro-3H-1,2,5-benzothiadiazepin-2-yl)acetate
CID 22991960

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 126709570) is 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(=O)c1nn2c(c1C)C(=O)NCC2Cc1ccccc1.
What is the InChIKey of 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KDXLZBVENZVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-14(11(2)20)18-19-13(9-17-16(21)15(10)19)8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 126709570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).