1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C19H15FN4O — CID 3242334

IUPAC1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H15FN4O/c1-12-4-3-5-16(10-12)23-13(2)22-18-17(19(23)25)11-21-24(18)15-8-6-14(20)7-9-15/h3-11H,1-2H3
InChIKeyHLVDLVGLPFWWPS-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.33
Rot. Bonds2

About 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3242334) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3242334
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H15FN4O/c1-12-4-3-5-16(10-12)23-13(2)22-18-17(19(23)25)11-21-24(18)15-8-6-14(20)7-9-15/h3-11H,1-2H3
InChIKeyHLVDLVGLPFWWPS-UHFFFAOYSA-N
XLogP3.33
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.33
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
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
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
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
CID 16882588
5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135488823
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 20853923
5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15207261
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068284
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3242334) is 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HLVDLVGLPFWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-4-3-5-16(10-12)23-13(2)22-18-17(19(23)25)11-21-24(18)15-8-6-14(20)7-9-15/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 334.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3242334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).