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

C16H11Cl2N5O2 — CID 135973010

IUPAC2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cc(Cl)c(O)c(Cl)c4)n3)cc21
InChIInChI=1S/C16H11Cl2N5O2/c17-9-5-8(6-10(18)14(9)24)15-19-2-1-11(21-15)12-7-13-16(25)20-3-4-23(13)22-12/h1-2,5-7,24H,3-4H2,(H,20,25)
InChIKeyIWUFITIXBLWIOE-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.76
Rot. Bonds2

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

2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 135973010) has the molecular formula C16H11Cl2N5O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID135973010
Molecular FormulaC16H11Cl2N5O2
Molecular Weight376.20 g/mol
Exact Mass375.03
IUPAC Name2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cc(Cl)c(O)c(Cl)c4)n3)cc21
InChIInChI=1S/C16H11Cl2N5O2/c17-9-5-8(6-10(18)14(9)24)15-19-2-1-11(21-15)12-7-13-16(25)20-3-4-23(13)22-12/h1-2,5-7,24H,3-4H2,(H,20,25)
InChIKeyIWUFITIXBLWIOE-UHFFFAOYSA-N
XLogP2.76
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 135973010) is 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4cc(Cl)c(O)c(Cl)c4)n3)cc21.
What is the InChIKey of 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IWUFITIXBLWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O2/c17-9-5-8(6-10(18)14(9)24)15-19-2-1-11(21-15)12-7-13-16(25)20-3-4-23(13)22-12/h1-2,5-7,24H,3-4H2,(H,20,25).
What are the key properties of 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 376.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 135973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).