6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C11H5Cl3N4O — CID 137215913

IUPAC6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C11H5Cl3N4O/c12-5-3-1-2-4(7(5)13)8-6-9(18-17-8)15-11(14)16-10(6)19/h1-3H,(H2,15,16,17,18,19)
InChIKeyIPDVHOHFARGSAC-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137215913) has the molecular formula C11H5Cl3N4O and a molecular weight of 315.55 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137215913
Molecular FormulaC11H5Cl3N4O
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C11H5Cl3N4O/c12-5-3-1-2-4(7(5)13)8-6-9(18-17-8)15-11(14)16-10(6)19/h1-3H,(H2,15,16,17,18,19)
InChIKeyIPDVHOHFARGSAC-UHFFFAOYSA-N
XLogP3.27
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137215913) is 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is IPDVHOHFARGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4O/c12-5-3-1-2-4(7(5)13)8-6-9(18-17-8)15-11(14)16-10(6)19/h1-3H,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 315.55 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137215913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).