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

C21H13ClFN5O2 — CID 71821128

IUPAC2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C21H13ClFN5O2/c22-15-5-1-13(2-6-15)17-11-18-21(29)27(9-10-28(18)25-17)12-19-24-20(26-30-19)14-3-7-16(23)8-4-14/h1-11H,12H2
InChIKeyRKOPPOHAZCVRCV-UHFFFAOYSA-N
MW421.82 g/mol
LogP4.05
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71821128) has the molecular formula C21H13ClFN5O2 and a molecular weight of 421.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID71821128
Molecular FormulaC21H13ClFN5O2
Molecular Weight421.82 g/mol
Exact Mass421.07
IUPAC Name2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C21H13ClFN5O2/c22-15-5-1-13(2-6-15)17-11-18-21(29)27(9-10-28(18)25-17)12-19-24-20(26-30-19)14-3-7-16(23)8-4-14/h1-11H,12H2
InChIKeyRKOPPOHAZCVRCV-UHFFFAOYSA-N
XLogP4.05
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076246
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230
5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 27372312
2-(4-ethoxyphenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076191
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-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
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
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 71821128) is 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RKOPPOHAZCVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O2/c22-15-5-1-13(2-6-15)17-11-18-21(29)27(9-10-28(18)25-17)12-19-24-20(26-30-19)14-3-7-16(23)8-4-14/h1-11H,12H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 421.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71821128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).