2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H10BrN3O — CID 135906999

IUPAC2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccc(Br)cc3)nn2c2ccccc12
InChIInChI=1S/C16H10BrN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21)
InChIKeyWUYILTMQXNFROG-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.61
Rot. Bonds1

About 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135906999) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135906999
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccc(Br)cc3)nn2c2ccccc12
InChIInChI=1S/C16H10BrN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21)
InChIKeyWUYILTMQXNFROG-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135906999) is 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3ccc(Br)cc3)nn2c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is WUYILTMQXNFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21).
What are the key properties of 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 340.18 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135906999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).