6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

Name: 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₁F₂N₃O — CID 66503809

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

SMILESO=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21

InChIInChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2

InChIKeyUWBIUTFHIGZXDW-UHFFFAOYSA-N

MW299.28 g/mol

LogP2.92

Rot. Bonds1

About 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503809) has the molecular formula C₁₆H₁₁F₂N₃O and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name	6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID	66503809
Molecular Formula	C₁₆H₁₁F₂N₃O
Molecular Weight	299.28 g/mol
Exact Mass	299.09
IUPAC Name	6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILES	O=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21
InChI	InChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2
InChIKey	UWBIUTFHIGZXDW-UHFFFAOYSA-N
XLogP	2.92
TPSA	47.26 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.28
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?

The IUPAC name of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503809) is 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

What is the SMILES notation for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?

The canonical SMILES for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21.

What is the InChIKey of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?

The InChIKey is UWBIUTFHIGZXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2.

What are the key properties of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?

6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 299.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66503809 — identifiers, structure, computed properties (public domain)

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