5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C23H18ClN5O2 — CID 27372950

IUPAC5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ccn3n2)cc1C
InChIInChI=1S/C23H18ClN5O2/c1-14-7-8-16(11-15(14)2)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(27-31-21)17-5-3-4-6-18(17)24/h3-12H,13H2,1-2H3
InChIKeyHHPHJXVUMVDVCC-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.53
Rot. Bonds4

About 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372950) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372950
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ccn3n2)cc1C
InChIInChI=1S/C23H18ClN5O2/c1-14-7-8-16(11-15(14)2)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(27-31-21)17-5-3-4-6-18(17)24/h3-12H,13H2,1-2H3
InChIKeyHHPHJXVUMVDVCC-UHFFFAOYSA-N
XLogP4.53
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[3-[2-(4-Chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
CID 127034205
4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162668536
2-(4-ethylphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372686
[(2S)-2-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
CID 117870893
2-(4-fluorophenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372892
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372901
2-(4-fluorophenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372913
2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372306
2-(4-ethylphenyl)-5-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372667
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372673
5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372682
2-(4-chlorophenyl)-5-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372887

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372950) is 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ccn3n2)cc1C.
What is the InChIKey of 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HHPHJXVUMVDVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-14-7-8-16(11-15(14)2)19-12-20-23(30)28(9-10-29(20)26-19)13-21-25-22(27-31-21)17-5-3-4-6-18(17)24/h3-12H,13H2,1-2H3.
What are the key properties of 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 431.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).