5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H13ClN4O — CID 15207261

IUPAC5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C18H13ClN4O/c1-12-21-17-14(11-20-23(17)13-7-3-2-4-8-13)18(24)22(12)16-10-6-5-9-15(16)19/h2-11H,1H3
InChIKeyZVGQXGZRBLNYSK-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.53
Rot. Bonds2

About 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15207261) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15207261
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C18H13ClN4O/c1-12-21-17-14(11-20-23(17)13-7-3-2-4-8-13)18(24)22(12)16-10-6-5-9-15(16)19/h2-11H,1H3
InChIKeyZVGQXGZRBLNYSK-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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Related Compounds

5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122
6-methyl-5-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 23905910
6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10549386
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 3242334
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10574898
6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10765336

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 15207261) is 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZVGQXGZRBLNYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-12-21-17-14(11-20-23(17)13-7-3-2-4-8-13)18(24)22(12)16-10-6-5-9-15(16)19/h2-11H,1H3.
What are the key properties of 5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(2-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-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15207261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).