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

C14H14BrN3O — CID 140671599

IUPAC8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)(C)c1cc2[nH]c(=O)c3ccc(Br)cc3n2n1
InChIInChI=1S/C14H14BrN3O/c1-14(2,3)11-7-12-16-13(19)9-5-4-8(15)6-10(9)18(12)17-11/h4-7H,1-3H3,(H,16,19)
InChIKeyUFWKIUBTVOMTDF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.24
Rot. Bonds

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

8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 140671599) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID140671599
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)(C)c1cc2[nH]c(=O)c3ccc(Br)cc3n2n1
InChIInChI=1S/C14H14BrN3O/c1-14(2,3)11-7-12-16-13(19)9-5-4-8(15)6-10(9)18(12)17-11/h4-7H,1-3H3,(H,16,19)
InChIKeyUFWKIUBTVOMTDF-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
N-(1-(3-bromophenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11676072
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
3-bromo-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)benzamide
CID 135753081
2-(3-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135906992
2-(4-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135906999
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907000
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907001
2-cyclohexylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 136123441
2-isobutylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 136123472
4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 136360342

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 140671599) is 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one is CC(C)(C)c1cc2[nH]c(=O)c3ccc(Br)cc3n2n1.
What is the InChIKey of 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is UFWKIUBTVOMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-14(2,3)11-7-12-16-13(19)9-5-4-8(15)6-10(9)18(12)17-11/h4-7H,1-3H3,(H,16,19).
What are the key properties of 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 320.19 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-tert-butyl-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 140671599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).