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

C20H19N3O — CID 135966077

IUPAC2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)(C)c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C20H19N3O/c1-20(2,3)14-10-8-13(9-11-14)16-12-18-21-19(24)15-6-4-5-7-17(15)23(18)22-16/h4-12H,1-3H3,(H,21,24)
InChIKeyZYKNFQCMFXLAGP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.14
Rot. Bonds1

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

2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135966077) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135966077
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)(C)c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1
InChIInChI=1S/C20H19N3O/c1-20(2,3)14-10-8-13(9-11-14)16-12-18-21-19(24)15-6-4-5-7-17(15)23(18)22-16/h4-12H,1-3H3,(H,21,24)
InChIKeyZYKNFQCMFXLAGP-UHFFFAOYSA-N
XLogP4.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135966077) is 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CC(C)(C)c1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is ZYKNFQCMFXLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-20(2,3)14-10-8-13(9-11-14)16-12-18-21-19(24)15-6-4-5-7-17(15)23(18)22-16/h4-12H,1-3H3,(H,21,24).
What are the key properties of 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 317.39 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135966077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).