5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C19H13ClN4O2 — CID 2815063

IUPAC5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O2/c20-14-8-6-13(7-9-14)17(25)11-23-12-21-18-16(19(23)26)10-22-24(18)15-4-2-1-3-5-15/h1-10,12H,11H2
InChIKeyYRFDPBXZDMHTHK-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.12
Rot. Bonds4

About 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2815063) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2815063
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O2/c20-14-8-6-13(7-9-14)17(25)11-23-12-21-18-16(19(23)26)10-22-24(18)15-4-2-1-3-5-15/h1-10,12H,11H2
InChIKeyYRFDPBXZDMHTHK-UHFFFAOYSA-N
XLogP3.12
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2815063) is 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YRFDPBXZDMHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-14-8-6-13(7-9-14)17(25)11-23-12-21-18-16(19(23)26)10-22-24(18)15-4-2-1-3-5-15/h1-10,12H,11H2.
What are the key properties of 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 364.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2815063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).