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

C18H15N3O — CID 135907001

IUPAC2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)15-11-17-19-18(22)14-5-3-4-6-16(14)21(17)20-15/h3-11H,2H2,1H3,(H,19,22)
InChIKeyAPXPSRBDBABVCM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.41
Rot. Bonds2

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

2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135907001) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135907001
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)15-11-17-19-18(22)14-5-3-4-6-16(14)21(17)20-15/h3-11H,2H2,1H3,(H,19,22)
InChIKeyAPXPSRBDBABVCM-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135907001) is 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CCc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is APXPSRBDBABVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)15-11-17-19-18(22)14-5-3-4-6-16(14)21(17)20-15/h3-11H,2H2,1H3,(H,19,22).
What are the key properties of 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 289.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135907001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).