(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone

C19H16BrN3O — CID 159598165

IUPAC(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
SMILESCn1ncc2c1Cc1ccccc1N(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C19H16BrN3O/c1-22-18-10-13-6-2-5-9-17(13)23(12-14(18)11-21-22)19(24)15-7-3-4-8-16(15)20/h2-9,11H,10,12H2,1H3
InChIKeyMLCSPKNGMJHWKB-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.93
Rot. Bonds1

About (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone

(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone (PubChem CID 159598165) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
PubChem CID159598165
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
SMILESCn1ncc2c1Cc1ccccc1N(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C19H16BrN3O/c1-22-18-10-13-6-2-5-9-17(13)23(12-14(18)11-21-22)19(24)15-7-3-4-8-16(15)20/h2-9,11H,10,12H2,1H3
InChIKeyMLCSPKNGMJHWKB-UHFFFAOYSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
CID 147089757
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293868
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
[3-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 161478657
(2-bromophenyl)-(4-methylpyrazol-1-yl)methanone
CID 1245528
[4-[4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butoxy]-3-fluorophenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 160845005
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709585
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepine-5-carbonyl)phenyl]pentan-1-one
CID 159766862
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157289563
(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095
(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone?
The IUPAC name of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone (CID 159598165) is (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone is Cn1ncc2c1Cc1ccccc1N(C(=O)c1ccccc1Br)C2.
What is the InChIKey of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone?
The InChIKey is MLCSPKNGMJHWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-22-18-10-13-6-2-5-9-17(13)23(12-14(18)11-21-22)19(24)15-7-3-4-8-16(15)20/h2-9,11H,10,12H2,1H3.
What are the key properties of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone?
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone has a molecular weight of 382.26 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone is sourced from PubChem (CID 159598165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).