2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C9H12BrN3O — CID 163276701

IUPAC2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)C1CNC(=O)c2cc(Br)nn21
InChIInChI=1S/C9H12BrN3O/c1-5(2)7-4-11-9(14)6-3-8(10)12-13(6)7/h3,5,7H,4H2,1-2H3,(H,11,14)
InChIKeyFJTUESIQKURHDQ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.59
Rot. Bonds1

About 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276701) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276701
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)C1CNC(=O)c2cc(Br)nn21
InChIInChI=1S/C9H12BrN3O/c1-5(2)7-4-11-9(14)6-3-8(10)12-13(6)7/h3,5,7H,4H2,1-2H3,(H,11,14)
InChIKeyFJTUESIQKURHDQ-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276622
(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 68892787
(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 53299341
(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 172830637
(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 164514457
(7S)-7-[(3-bromophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741825
(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
CID 156847153
2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888567
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 97032410
2-methyl-5,6-dihydroimidazo[1,5-b]pyrazol-4-one
CID 89069661
7-[(3-bromophenyl)methylamino]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888423

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276701) is 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)C1CNC(=O)c2cc(Br)nn21.
What is the InChIKey of 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FJTUESIQKURHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5(2)7-4-11-9(14)6-3-8(10)12-13(6)7/h3,5,7H,4H2,1-2H3,(H,11,14).
What are the key properties of 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 258.12 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).