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

C17H13N3O — CID 135907000

IUPAC2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)14-10-16-18-17(21)13-4-2-3-5-15(13)20(16)19-14/h2-10H,1H3,(H,18,21)
InChIKeyYZYXTSIMDPDOTA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.15
Rot. Bonds1

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

2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135907000) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135907000
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)14-10-16-18-17(21)13-4-2-3-5-15(13)20(16)19-14/h2-10H,1H3,(H,18,21)
InChIKeyYZYXTSIMDPDOTA-UHFFFAOYSA-N
XLogP3.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135907000) is 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is Cc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is YZYXTSIMDPDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)14-10-16-18-17(21)13-4-2-3-5-15(13)20(16)19-14/h2-10H,1H3,(H,18,21).
What are the key properties of 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 275.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135907000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).