8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one

C15H14BrN3O — CID 136623251

IUPAC8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(C3CCCC3)nn2c2cc(Br)ccc12
InChIInChI=1S/C15H14BrN3O/c16-10-5-6-11-13(7-10)19-14(17-15(11)20)8-12(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,20)
InChIKeyQNEAYMBSVDBQLQ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.60
Rot. Bonds1

About 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one

8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 136623251) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID136623251
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(C3CCCC3)nn2c2cc(Br)ccc12
InChIInChI=1S/C15H14BrN3O/c16-10-5-6-11-13(7-10)19-14(17-15(11)20)8-12(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,20)
InChIKeyQNEAYMBSVDBQLQ-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 136623251) is 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(C3CCCC3)nn2c2cc(Br)ccc12.
What is the InChIKey of 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is QNEAYMBSVDBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-10-5-6-11-13(7-10)19-14(17-15(11)20)8-12(18-19)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,20).
What are the key properties of 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 332.20 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 136623251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).