8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one

C15H12BrN5O — CID 90014157

IUPAC8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1cc(-c2cc3n(C)c(=O)c4ccc(Br)cc4n3n2)cn1
InChIInChI=1S/C15H12BrN5O/c1-19-8-9(7-17-19)12-6-14-20(2)15(22)11-4-3-10(16)5-13(11)21(14)18-12/h3-8H,1-2H3
InChIKeyNPCAYXXQWXLXEB-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.35
Rot. Bonds1

About 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one

8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90014157) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one
PubChem CID90014157
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one
SMILESCn1cc(-c2cc3n(C)c(=O)c4ccc(Br)cc4n3n2)cn1
InChIInChI=1S/C15H12BrN5O/c1-19-8-9(7-17-19)12-6-14-20(2)15(22)11-4-3-10(16)5-13(11)21(14)18-12/h3-8H,1-2H3
InChIKeyNPCAYXXQWXLXEB-UHFFFAOYSA-N
XLogP2.35
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one (CID 90014157) is 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one is Cn1cc(-c2cc3n(C)c(=O)c4ccc(Br)cc4n3n2)cn1.
What is the InChIKey of 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is NPCAYXXQWXLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-19-8-9(7-17-19)12-6-14-20(2)15(22)11-4-3-10(16)5-13(11)21(14)18-12/h3-8H,1-2H3.
What are the key properties of 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one?
8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 358.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90014157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).