5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

C15H15ClN4O — CID 3241247

IUPAC5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H15ClN4O/c1-2-3-8-19-10-17-14-13(15(19)21)9-18-20(14)12-6-4-11(16)5-7-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyFHJIRSMZBHAGAD-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.04
Rot. Bonds4

About 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3241247) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3241247
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H15ClN4O/c1-2-3-8-19-10-17-14-13(15(19)21)9-18-20(14)12-6-4-11(16)5-7-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyFHJIRSMZBHAGAD-UHFFFAOYSA-N
XLogP3.04
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3241247) is 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is CCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FHJIRSMZBHAGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-3-8-19-10-17-14-13(15(19)21)9-18-20(14)12-6-4-11(16)5-7-12/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 302.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3241247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).