2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

C15H16BrN3O3 — CID 178129815

IUPAC2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
SMILESCOc1ccc(CN2Cc3cc(Br)nn3CC2=O)c(OC)c1
InChIInChI=1S/C15H16BrN3O3/c1-21-12-4-3-10(13(6-12)22-2)7-18-8-11-5-14(16)17-19(11)9-15(18)20/h3-6H,7-9H2,1-2H3
InChIKeyTZUBSQKQAOWCFM-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.21
Rot. Bonds4

About 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (PubChem CID 178129815) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
PubChem CID178129815
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
SMILESCOc1ccc(CN2Cc3cc(Br)nn3CC2=O)c(OC)c1
InChIInChI=1S/C15H16BrN3O3/c1-21-12-4-3-10(13(6-12)22-2)7-18-8-11-5-14(16)17-19(11)9-15(18)20/h3-6H,7-9H2,1-2H3
InChIKeyTZUBSQKQAOWCFM-UHFFFAOYSA-N
XLogP2.21
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-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

(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581
8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
CID 102119190
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 72851753
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperazine-2,3-dione;hydrochloride
CID 139953981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The IUPAC name of 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (CID 178129815) is 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The canonical SMILES for 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is COc1ccc(CN2Cc3cc(Br)nn3CC2=O)c(OC)c1.
What is the InChIKey of 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The InChIKey is TZUBSQKQAOWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-21-12-4-3-10(13(6-12)22-2)7-18-8-11-5-14(16)17-19(11)9-15(18)20/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one has a molecular weight of 366.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 178129815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).