5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

C16H15N3O2 — CID 104735025

IUPAC5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(=O)Cn2ccn3nccc3c2=O)cc1C
InChIInChI=1S/C16H15N3O2/c1-11-3-4-13(9-12(11)2)15(20)10-18-7-8-19-14(16(18)21)5-6-17-19/h3-9H,10H2,1-2H3
InChIKeyYJVZQQLYSSFGJB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.00
Rot. Bonds3

About 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735025) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735025
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C(=O)Cn2ccn3nccc3c2=O)cc1C
InChIInChI=1S/C16H15N3O2/c1-11-3-4-13(9-12(11)2)15(20)10-18-7-8-19-14(16(18)21)5-6-17-19/h3-9H,10H2,1-2H3
InChIKeyYJVZQQLYSSFGJB-UHFFFAOYSA-N
XLogP2.00
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735025) is 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C(=O)Cn2ccn3nccc3c2=O)cc1C.
What is the InChIKey of 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YJVZQQLYSSFGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-4-13(9-12(11)2)15(20)10-18-7-8-19-14(16(18)21)5-6-17-19/h3-9H,10H2,1-2H3.
What are the key properties of 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).