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

C19H15FN4O — CID 7518961

IUPAC1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H15FN4O/c1-13-2-4-14(5-3-13)11-23-12-21-18-17(19(23)25)10-22-24(18)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3
InChIKeyKCUWCPNYLDVCMB-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.08
Rot. Bonds3

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

1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7518961) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7518961
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H15FN4O/c1-13-2-4-14(5-3-13)11-23-12-21-18-17(19(23)25)10-22-24(18)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3
InChIKeyKCUWCPNYLDVCMB-UHFFFAOYSA-N
XLogP3.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 7518961) is 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KCUWCPNYLDVCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-13-2-4-14(5-3-13)11-23-12-21-18-17(19(23)25)10-22-24(18)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 334.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7518961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).