2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

C18H15FN2O3 — CID 2939465

IUPAC2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(F)cc3)CC21
InChIInChI=1S/C18H15FN2O3/c1-23-15-8-7-12-14-9-13(10-3-5-11(19)6-4-10)20-21(14)18(22)16(12)17(15)24-2/h3-8,14H,9H2,1-2H3
InChIKeyLWUSUJZSIJWKOG-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (PubChem CID 2939465) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
PubChem CID2939465
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(F)cc3)CC21
InChIInChI=1S/C18H15FN2O3/c1-23-15-8-7-12-14-9-13(10-3-5-11(19)6-4-10)20-21(14)18(22)16(12)17(15)24-2/h3-8,14H,9H2,1-2H3
InChIKeyLWUSUJZSIJWKOG-UHFFFAOYSA-N
XLogP3.15
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2864509
6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2864072
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195
6-[2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
CID 3586605
4-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597509
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
(7aR)-3-chloro-10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one
CID 1240690
(5S,10bS)-9-chloro-5-(2,3-dimethoxyphenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92837754
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-sulfanyl-3,4-dihydropyrazole
CID 139528327
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
[(3R)-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 40979345

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (CID 2939465) is 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(F)cc3)CC21.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The InChIKey is LWUSUJZSIJWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-15-8-7-12-14-9-13(10-3-5-11(19)6-4-10)20-21(14)18(22)16(12)17(15)24-2/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one has a molecular weight of 326.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 2939465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).