5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C25H27N3O2 — CID 91889263

IUPAC5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1C
InChIInChI=1S/C25H27N3O2/c1-16(2)19-7-9-20(10-8-19)22-14-23-25(30)27(11-12-28(23)26-22)15-24(29)21-6-5-17(3)18(4)13-21/h5-14,16,24,29H,15H2,1-4H3
InChIKeyKGWIVLDZLAEUCM-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.64
Rot. Bonds5

About 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889263) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91889263
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1C
InChIInChI=1S/C25H27N3O2/c1-16(2)19-7-9-20(10-8-19)22-14-23-25(30)27(11-12-28(23)26-22)15-24(29)21-6-5-17(3)18(4)13-21/h5-14,16,24,29H,15H2,1-4H3
InChIKeyKGWIVLDZLAEUCM-UHFFFAOYSA-N
XLogP4.64
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889262
5-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53180204
2-(3-bromophenyl)-5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889267
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
5-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125125759
5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 95104750
5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889255
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889207
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91889263) is 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C(O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1C.
What is the InChIKey of 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KGWIVLDZLAEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16(2)19-7-9-20(10-8-19)22-14-23-25(30)27(11-12-28(23)26-22)15-24(29)21-6-5-17(3)18(4)13-21/h5-14,16,24,29H,15H2,1-4H3.
What are the key properties of 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 401.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).