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

C14H9Cl2N3O2 — CID 104735034

IUPAC5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cn1ccn2nccc2c1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N3O2/c15-9-1-2-11(16)10(7-9)13(20)8-18-5-6-19-12(14(18)21)3-4-17-19/h1-7H,8H2
InChIKeyVBHFLYPNSZELDH-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.69
Rot. Bonds3

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

5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735034) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735034
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cn1ccn2nccc2c1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N3O2/c15-9-1-2-11(16)10(7-9)13(20)8-18-5-6-19-12(14(18)21)3-4-17-19/h1-7H,8H2
InChIKeyVBHFLYPNSZELDH-UHFFFAOYSA-N
XLogP2.69
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735034) is 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is O=C(Cn1ccn2nccc2c1=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VBHFLYPNSZELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-1-2-11(16)10(7-9)13(20)8-18-5-6-19-12(14(18)21)3-4-17-19/h1-7H,8H2.
What are the key properties of 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 322.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).