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

C23H16ClFN4O2 — CID 53092975

IUPAC5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C23H16ClFN4O2/c1-14-20(26-22(31-14)16-3-2-4-17(24)11-16)13-28-9-10-29-21(23(28)30)12-19(27-29)15-5-7-18(25)8-6-15/h2-12H,13H2,1H3
InChIKeyMAIIQZQGNCYJFW-UHFFFAOYSA-N
MW434.86 g/mol
LogP4.97
Rot. Bonds4

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

5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53092975) has the molecular formula C23H16ClFN4O2 and a molecular weight of 434.86 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53092975
Molecular FormulaC23H16ClFN4O2
Molecular Weight434.86 g/mol
Exact Mass434.09
IUPAC Name5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C23H16ClFN4O2/c1-14-20(26-22(31-14)16-3-2-4-17(24)11-16)13-28-9-10-29-21(23(28)30)12-19(27-29)15-5-7-18(25)8-6-15/h2-12H,13H2,1H3
InChIKeyMAIIQZQGNCYJFW-UHFFFAOYSA-N
XLogP4.97
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043167
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371170
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093005
2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71821128
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372876
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53092975) is 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O.
What is the InChIKey of 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MAIIQZQGNCYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O2/c1-14-20(26-22(31-14)16-3-2-4-17(24)11-16)13-28-9-10-29-21(23(28)30)12-19(27-29)15-5-7-18(25)8-6-15/h2-12H,13H2,1H3.
What are the key properties of 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 434.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53092975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).