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

C24H25N3O3 — CID 91889236

IUPAC2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(C(O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-4-30-19-8-6-18(7-9-19)23(28)15-26-11-12-27-22(24(26)29)14-21(25-27)20-10-5-16(2)13-17(20)3/h5-14,23,28H,4,15H2,1-3H3
InChIKeyGFCDGNUUBZSZHD-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.91
Rot. Bonds6

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

2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91889236) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91889236
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(C(O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-4-30-19-8-6-18(7-9-19)23(28)15-26-11-12-27-22(24(26)29)14-21(25-27)20-10-5-16(2)13-17(20)3/h5-14,23,28H,4,15H2,1-3H3
InChIKeyGFCDGNUUBZSZHD-UHFFFAOYSA-N
XLogP3.91
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889262
5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127162
5-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889193
5-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125125759
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127405
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 91892775
2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N'-hydroxyethanimidamide
CID 131632878
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889207
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91889236) is 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(C(O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GFCDGNUUBZSZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-4-30-19-8-6-18(7-9-19)23(28)15-26-11-12-27-22(24(26)29)14-21(25-27)20-10-5-16(2)13-17(20)3/h5-14,23,28H,4,15H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 403.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91889236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).