3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C16H15N3O — CID 804632

IUPAC3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2
InChIInChI=1S/C16H15N3O/c20-16-12-8-4-5-9-14(12)18-15-13(10-17-19(15)16)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2
InChIKeyJJWROLUTTRTFDW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.57
Rot. Bonds1

About 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 804632) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID804632
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2
InChIInChI=1S/C16H15N3O/c20-16-12-8-4-5-9-14(12)18-15-13(10-17-19(15)16)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2
InChIKeyJJWROLUTTRTFDW-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 804632) is 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2.
What is the InChIKey of 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is JJWROLUTTRTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-12-8-4-5-9-14(12)18-15-13(10-17-19(15)16)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2.
What are the key properties of 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 265.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 804632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).