5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H15ClN4O — CID 44589371

IUPAC5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C18H15ClN4O/c19-17-7-6-13(11-20-17)12-22-8-9-23-16(18(22)24)10-15(21-23)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2
InChIKeyMHVXRSAHYLACAP-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.25
Rot. Bonds3

About 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589371) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589371
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C18H15ClN4O/c19-17-7-6-13(11-20-17)12-22-8-9-23-16(18(22)24)10-15(21-23)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2
InChIKeyMHVXRSAHYLACAP-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589371) is 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MHVXRSAHYLACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-17-7-6-13(11-20-17)12-22-8-9-23-16(18(22)24)10-15(21-23)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2.
What are the key properties of 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 338.80 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).