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

C21H13ClFN5O2 — CID 27372901

IUPAC5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H13ClFN5O2/c22-15-3-1-2-14(10-15)20-24-19(30-26-20)12-27-8-9-28-18(21(27)29)11-17(25-28)13-4-6-16(23)7-5-13/h1-11H,12H2
InChIKeyNUZJBAOSBUNUJT-UHFFFAOYSA-N
MW421.82 g/mol
LogP4.05
Rot. Bonds4

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

5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372901) has the molecular formula C21H13ClFN5O2 and a molecular weight of 421.82 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372901
Molecular FormulaC21H13ClFN5O2
Molecular Weight421.82 g/mol
Exact Mass421.07
IUPAC Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H13ClFN5O2/c22-15-3-1-2-14(10-15)20-24-19(30-26-20)12-27-8-9-28-18(21(27)29)11-17(25-28)13-4-6-16(23)7-5-13/h1-11H,12H2
InChIKeyNUZJBAOSBUNUJT-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

6-[[3-[2-(4-Chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
CID 127034205
N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162658526
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
1-(3-chloro-4-fluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892020
1-(5-Chloro-2-fluorobenzoyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908529
US10913742, Example 30
CID 134555058
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
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-(4-fluorophenyl)-5-((3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 27372926
2-(4-fluorophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372934
[5-[2-[(3-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637204
N-(3-chloro-4-fluorobenzyl)-1-(4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl)-1H-pyrazole-3-carboxamide
CID 49666244

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372901) is 5-[[3-(3-chlorophenyl)-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-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NUZJBAOSBUNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O2/c22-15-3-1-2-14(10-15)20-24-19(30-26-20)12-27-8-9-28-18(21(27)29)11-17(25-28)13-4-6-16(23)7-5-13/h1-11H,12H2.
What are the key properties of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)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 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).