5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one

C25H21N3O — CID 53332168

IUPAC5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1C
InChIInChI=1S/C25H21N3O/c1-17-10-11-19(14-18(17)2)16-27-12-13-28-24(25(27)29)15-23(26-28)22-9-5-7-20-6-3-4-8-21(20)22/h3-15H,16H2,1-2H3
InChIKeyVXDXRRGDOSMLCE-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.98
Rot. Bonds3

About 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one

5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53332168) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53332168
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1C
InChIInChI=1S/C25H21N3O/c1-17-10-11-19(14-18(17)2)16-27-12-13-28-24(25(27)29)15-23(26-28)22-9-5-7-20-6-3-4-8-21(20)22/h3-15H,16H2,1-2H3
InChIKeyVXDXRRGDOSMLCE-UHFFFAOYSA-N
XLogP4.98
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53332168) is 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VXDXRRGDOSMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-10-11-19(14-18(17)2)16-27-12-13-28-24(25(27)29)15-23(26-28)22-9-5-7-20-6-3-4-8-21(20)22/h3-15H,16H2,1-2H3.
What are the key properties of 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53332168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).