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

C24H25N3O4 — CID 125127162

IUPAC5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(OC)c([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1
InChIInChI=1S/C24H25N3O4/c1-15-5-7-18(16(2)11-15)20-13-21-24(29)26(9-10-27(21)25-20)14-22(28)19-12-17(30-3)6-8-23(19)31-4/h5-13,22,28H,14H2,1-4H3/t22-/m1/s1
InChIKeyLFVMDXFBDNIYFQ-JOCHJYFZSA-N
MW419.48 g/mol
LogP3.53
Rot. Bonds6

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

5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127162) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125127162
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(OC)c([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1
InChIInChI=1S/C24H25N3O4/c1-15-5-7-18(16(2)11-15)20-13-21-24(29)26(9-10-27(21)25-20)14-22(28)19-12-17(30-3)6-8-23(19)31-4/h5-13,22,28H,14H2,1-4H3/t22-/m1/s1
InChIKeyLFVMDXFBDNIYFQ-JOCHJYFZSA-N
XLogP3.53
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889193
2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889236
5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889255
5-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126020
5-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125125759
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 95104750
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 91892789
5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127405
5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
5-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125129049
2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N'-hydroxyethanimidamide
CID 131632878
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889262

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 125127162) is 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(OC)c([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1.
What is the InChIKey of 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LFVMDXFBDNIYFQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-5-7-18(16(2)11-15)20-13-21-24(29)26(9-10-27(21)25-20)14-22(28)19-12-17(30-3)6-8-23(19)31-4/h5-13,22,28H,14H2,1-4H3/t22-/m1/s1.
What are the key properties of 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).