2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H11N3O — CID 135939584

IUPAC2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccccc3)nn2c2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyPBGUSECSIDSSHI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.84
Rot. Bonds1

About 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one

2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939584) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939584
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccccc3)nn2c2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyPBGUSECSIDSSHI-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939584) is 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3ccccc3)nn2c2ccccc12.
What is the InChIKey of 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is PBGUSECSIDSSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h1-10H,(H,17,20).
What are the key properties of 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 261.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).