5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

C22H25N3O2 — CID 167998806

IUPAC5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1C1CC2C(=O)N(Cc3ccc(C)cc3C)C=CN2N1
InChIInChI=1S/C22H25N3O2/c1-15-8-9-17(16(2)12-15)14-24-10-11-25-20(22(24)26)13-19(23-25)18-6-4-5-7-21(18)27-3/h4-12,19-20,23H,13-14H2,1-3H3
InChIKeyYQYZTBVQRMJNGG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.45
Rot. Bonds4

About 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 167998806) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID167998806
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1C1CC2C(=O)N(Cc3ccc(C)cc3C)C=CN2N1
InChIInChI=1S/C22H25N3O2/c1-15-8-9-17(16(2)12-15)14-24-10-11-25-20(22(24)26)13-19(23-25)18-6-4-5-7-21(18)27-3/h4-12,19-20,23H,13-14H2,1-3H3
InChIKeyYQYZTBVQRMJNGG-UHFFFAOYSA-N
XLogP3.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 75975802
5-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 75975803
2-(3,4-dimethylphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526549
5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526415
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526559
2-(4-chlorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 73340879
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73340843
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
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73338614
N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 84822184
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (CID 167998806) is 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1C1CC2C(=O)N(Cc3ccc(C)cc3C)C=CN2N1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YQYZTBVQRMJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-8-9-17(16(2)12-15)14-24-10-11-25-20(22(24)26)13-19(23-25)18-6-4-5-7-21(18)27-3/h4-12,19-20,23H,13-14H2,1-3H3.
What are the key properties of 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 167998806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).