2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C16H11Cl2N5O — CID 59722921

IUPAC2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cccc(Cl)c4Cl)n3)cc21
InChIInChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(14(10)18)15-19-5-4-11(21-15)12-8-13-16(24)20-6-7-23(13)22-12/h1-5,8H,6-7H2,(H,20,24)
InChIKeyCXYDBOIAGZFVMK-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.06
Rot. Bonds2

About 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722921) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722921
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cccc(Cl)c4Cl)n3)cc21
InChIInChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(14(10)18)15-19-5-4-11(21-15)12-8-13-16(24)20-6-7-23(13)22-12/h1-5,8H,6-7H2,(H,20,24)
InChIKeyCXYDBOIAGZFVMK-UHFFFAOYSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722921) is 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4cccc(Cl)c4Cl)n3)cc21.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CXYDBOIAGZFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(14(10)18)15-19-5-4-11(21-15)12-8-13-16(24)20-6-7-23(13)22-12/h1-5,8H,6-7H2,(H,20,24).
What are the key properties of 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 360.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).