2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C23H22BrN3O2 — CID 91889272

IUPAC2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(C)c(C(O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)c(C)c1
InChIInChI=1S/C23H22BrN3O2/c1-14-9-15(2)22(16(3)10-14)21(28)13-26-7-8-27-20(23(26)29)12-19(25-27)17-5-4-6-18(24)11-17/h4-12,21,28H,13H2,1-3H3
InChIKeyDPNZIZAYPIZGSA-UHFFFAOYSA-N
MW452.35 g/mol
LogP4.58
Rot. Bonds4

About 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889272) has the molecular formula C23H22BrN3O2 and a molecular weight of 452.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91889272
Molecular FormulaC23H22BrN3O2
Molecular Weight452.35 g/mol
Exact Mass451.09
IUPAC Name2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(C)c(C(O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)c(C)c1
InChIInChI=1S/C23H22BrN3O2/c1-14-9-15(2)22(16(3)10-14)21(28)13-26-7-8-27-20(23(26)29)12-19(25-27)17-5-4-6-18(24)11-17/h4-12,21,28H,13H2,1-3H3
InChIKeyDPNZIZAYPIZGSA-UHFFFAOYSA-N
XLogP4.58
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]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

2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889253
2-(3-bromophenyl)-5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889267
2-(3-bromophenyl)-5-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 125127714
2-(3-bromophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 125126789
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543
5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127405
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128815
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889263
5-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 125127749
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 95104750
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91889272) is 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc(C)c(C(O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DPNZIZAYPIZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O2/c1-14-9-15(2)22(16(3)10-14)21(28)13-26-7-8-27-20(23(26)29)12-19(25-27)17-5-4-6-18(24)11-17/h4-12,21,28H,13H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 452.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).