2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C17H12BrN3O — CID 135939646

IUPAC2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(Cc3cccc(Br)c3)nn2c2ccccc12
InChIInChI=1S/C17H12BrN3O/c18-12-5-3-4-11(8-12)9-13-10-16-19-17(22)14-6-1-2-7-15(14)21(16)20-13/h1-8,10H,9H2,(H,19,22)
InChIKeyWQLPUIMTYHZKRE-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.53
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939646) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939646
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(Cc3cccc(Br)c3)nn2c2ccccc12
InChIInChI=1S/C17H12BrN3O/c18-12-5-3-4-11(8-12)9-13-10-16-19-17(22)14-6-1-2-7-15(14)21(16)20-13/h1-8,10H,9H2,(H,19,22)
InChIKeyWQLPUIMTYHZKRE-UHFFFAOYSA-N
XLogP3.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939650
2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 137103510
8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 140671599
8-bromo-2-cyclopentyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 136623251
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949
2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939601
N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 135910454
2-[1-[(3-bromophenyl)methyl]indol-3-yl]acetic acid
CID 28599779
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107235482
(2S)-N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064642

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939646) is 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(Cc3cccc(Br)c3)nn2c2ccccc12.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is WQLPUIMTYHZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c18-12-5-3-4-11(8-12)9-13-10-16-19-17(22)14-6-1-2-7-15(14)21(16)20-13/h1-8,10H,9H2,(H,19,22).
What are the key properties of 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 354.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).