2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C15H16ClN3O — CID 44589394

IUPAC2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)N1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C15H16ClN3O/c1-10(2)18-7-8-19-14(15(18)20)9-13(17-19)11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRJRPKOAWPMWXFS-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589394) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589394
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)N1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C15H16ClN3O/c1-10(2)18-7-8-19-14(15(18)20)9-13(17-19)11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRJRPKOAWPMWXFS-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589394) is 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)N1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RJRPKOAWPMWXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)18-7-8-19-14(15(18)20)9-13(17-19)11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 289.77 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).