3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H14BrN3O — CID 675415

IUPAC3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN3O/c1-2-4-12-8-14(20)19-15(18-12)13(9-17-19)10-5-3-6-11(16)7-10/h3,5-9,17H,2,4H2,1H3
InChIKeyCQPAJIWSHCDAKW-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.40
Rot. Bonds3

About 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 675415) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID675415
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN3O/c1-2-4-12-8-14(20)19-15(18-12)13(9-17-19)10-5-3-6-11(16)7-10/h3,5-9,17H,2,4H2,1H3
InChIKeyCQPAJIWSHCDAKW-UHFFFAOYSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 675415) is 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CQPAJIWSHCDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-4-12-8-14(20)19-15(18-12)13(9-17-19)10-5-3-6-11(16)7-10/h3,5-9,17H,2,4H2,1H3.
What are the key properties of 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 675415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).