9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one

C20H19FN2O — CID 155667570

IUPAC9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
SMILESCC1(C)C=C(c2ccccc2)c2cc(F)ccc2N2CCC(=O)N21
InChIInChI=1S/C20H19FN2O/c1-20(2)13-17(14-6-4-3-5-7-14)16-12-15(21)8-9-18(16)22-11-10-19(24)23(20)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWPOGWAFWNIOFDD-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.00
Rot. Bonds1

About 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one

9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one (PubChem CID 155667570) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one.

Molecular Properties

Compound Name9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
PubChem CID155667570
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
SMILESCC1(C)C=C(c2ccccc2)c2cc(F)ccc2N2CCC(=O)N21
InChIInChI=1S/C20H19FN2O/c1-20(2)13-17(14-6-4-3-5-7-14)16-12-15(21)8-9-18(16)22-11-10-19(24)23(20)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWPOGWAFWNIOFDD-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
CID 155667532
5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
CID 155667553
2-(3,3-dimethylazetidin-1-yl)-5-fluorobenzoic acid
CID 79686730
10-fluoro-2-methyl-6,14-diazapentacyclo[12.7.0.02,6.07,12.015,20]henicosa-1(21),7(12),8,10,15,17,19-heptaene-5,13-dione
CID 51355763
7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
CID 67474813
19-fluoro-2-methyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51355203
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25182017
5-[[(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67871625
9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene
CID 102320780
(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one
CID 67104940

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The IUPAC name of 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one (CID 155667570) is 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one.
What is the SMILES notation for 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The canonical SMILES for 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one is CC1(C)C=C(c2ccccc2)c2cc(F)ccc2N2CCC(=O)N21.
What is the InChIKey of 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The InChIKey is WPOGWAFWNIOFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-20(2)13-17(14-6-4-3-5-7-14)16-12-15(21)8-9-18(16)22-11-10-19(24)23(20)22/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one has a molecular weight of 322.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one is sourced from PubChem (CID 155667570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).