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

C24H19ClN4O3 — CID 16876007

IUPAC2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(C)o1
InChIInChI=1S/C24H19ClN4O3/c1-15-20(26-23(32-15)18-5-3-4-6-22(18)31-2)14-28-11-12-29-21(24(28)30)13-19(27-29)16-7-9-17(25)10-8-16/h3-13H,14H2,1-2H3
InChIKeyXMLVKCMIGYFJFB-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.84
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 16876007) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID16876007
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(C)o1
InChIInChI=1S/C24H19ClN4O3/c1-15-20(26-23(32-15)18-5-3-4-6-22(18)31-2)14-28-11-12-29-21(24(28)30)13-19(27-29)16-7-9-17(25)10-8-16/h3-13H,14H2,1-2H3
InChIKeyXMLVKCMIGYFJFB-UHFFFAOYSA-N
XLogP4.84
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 16876007) is 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(C)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XMLVKCMIGYFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-15-20(26-23(32-15)18-5-3-4-6-22(18)31-2)14-28-11-12-29-21(24(28)30)13-19(27-29)16-7-9-17(25)10-8-16/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 446.89 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 16876007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).