5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H13ClN4O — CID 697713

IUPAC5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)14-7-3-2-4-8-14)18(24)22(12)15-9-5-6-13(19)10-15/h2-11H,1H3
InChIKeyUKTKKTVGDZERNW-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.53
Rot. Bonds2

About 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 697713) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID697713
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)14-7-3-2-4-8-14)18(24)22(12)15-9-5-6-13(19)10-15/h2-11H,1H3
InChIKeyUKTKKTVGDZERNW-UHFFFAOYSA-N
XLogP3.53
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 697713) is 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UKTKKTVGDZERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)14-7-3-2-4-8-14)18(24)22(12)15-9-5-6-13(19)10-15/h2-11H,1H3.
What are the key properties of 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 336.78 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).