5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

C25H26N4O2 — CID 74533082

IUPAC5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C2CC3C(=O)N(Cc4nc(-c5ccccc5C)oc4C)C=CN3N2)cc1
InChIInChI=1S/C25H26N4O2/c1-16-8-10-19(11-9-16)21-14-23-25(30)28(12-13-29(23)27-21)15-22-18(3)31-24(26-22)20-7-5-4-6-17(20)2/h4-13,21,23,27H,14-15H2,1-3H3
InChIKeyQXHCLMHLXKQEGQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.40
Rot. Bonds4

About 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 74533082) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID74533082
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C2CC3C(=O)N(Cc4nc(-c5ccccc5C)oc4C)C=CN3N2)cc1
InChIInChI=1S/C25H26N4O2/c1-16-8-10-19(11-9-16)21-14-23-25(30)28(12-13-29(23)27-21)15-22-18(3)31-24(26-22)20-7-5-4-6-17(20)2/h4-13,21,23,27H,14-15H2,1-3H3
InChIKeyQXHCLMHLXKQEGQ-UHFFFAOYSA-N
XLogP4.40
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-ethylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526175
2-(4-ethoxyphenyl)-5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591414
2-(4-fluorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 167998413
2-(2-methoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 167998708
2-(3-chloro-4-ethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156592772
2-(4-butoxyphenyl)-5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156589756
2-(3,4-dimethylphenyl)-5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526146
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 73338701
2-(4-fluorophenyl)-5-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156590816
5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-yl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591093
5-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156590749
2-(4-ethylphenyl)-5-[(4-methylphenyl)methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526184

Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (CID 74533082) is 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C2CC3C(=O)N(Cc4nc(-c5ccccc5C)oc4C)C=CN3N2)cc1.
What is the InChIKey of 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QXHCLMHLXKQEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-8-10-19(11-9-16)21-14-23-25(30)28(12-13-29(23)27-21)15-22-18(3)31-24(26-22)20-7-5-4-6-17(20)2/h4-13,21,23,27H,14-15H2,1-3H3.
What are the key properties of 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 414.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 74533082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).