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

C21H12ClF2N5O2 — CID 53076248

IUPAC5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C21H12ClF2N5O2/c22-15-6-3-13(9-16(15)24)20-25-19(31-27-20)11-28-7-8-29-18(21(28)30)10-17(26-29)12-1-4-14(23)5-2-12/h1-10H,11H2
InChIKeyYQMDNSYBAIRHTQ-UHFFFAOYSA-N
MW439.81 g/mol
LogP4.19
Rot. Bonds4

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

5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53076248) has the molecular formula C21H12ClF2N5O2 and a molecular weight of 439.81 g/mol. Its IUPAC name is 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53076248
Molecular FormulaC21H12ClF2N5O2
Molecular Weight439.81 g/mol
Exact Mass439.06
IUPAC Name5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C21H12ClF2N5O2/c22-15-6-3-13(9-16(15)24)20-25-19(31-27-20)11-28-7-8-29-18(21(28)30)10-17(26-29)12-1-4-14(23)5-2-12/h1-10H,11H2
InChIKeyYQMDNSYBAIRHTQ-UHFFFAOYSA-N
XLogP4.19
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.81
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71821128
5-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076246
5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372876
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372325
5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 27372312
2-(4-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
2-(4-ethoxyphenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076191
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230
2-(1,3-benzodioxol-5-yl)-5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076196
2-(4-butoxyphenyl)-5-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076258
2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076279
5-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076232

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53076248) is 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(Cl)c(F)c2)no1.
What is the InChIKey of 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YQMDNSYBAIRHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N5O2/c22-15-6-3-13(9-16(15)24)20-25-19(31-27-20)11-28-7-8-29-18(21(28)30)10-17(26-29)12-1-4-14(23)5-2-12/h1-10H,11H2.
What are the key properties of 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 439.81 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53076248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).