3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O — CID 785219

IUPAC3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O/c1-2-6-12-9-14(19)18-15(17-12)13(10-16-18)11-7-4-3-5-8-11/h3-5,7-10,16H,2,6H2,1H3
InChIKeyABFBTPWAJOPDLH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.64
Rot. Bonds3

About 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 785219) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID785219
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O/c1-2-6-12-9-14(19)18-15(17-12)13(10-16-18)11-7-4-3-5-8-11/h3-5,7-10,16H,2,6H2,1H3
InChIKeyABFBTPWAJOPDLH-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 785219) is 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1.
What is the InChIKey of 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ABFBTPWAJOPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-6-12-9-14(19)18-15(17-12)13(10-16-18)11-7-4-3-5-8-11/h3-5,7-10,16H,2,6H2,1H3.
What are the key properties of 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 785219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).