(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone

C22H23N3O — CID 147089757

IUPAC(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3cnn(C)c3Cc3ccccc32)c(C)c1C
InChIInChI=1S/C22H23N3O/c1-14-9-10-19(16(3)15(14)2)22(26)25-13-18-12-23-24(4)21(18)11-17-7-5-6-8-20(17)25/h5-10,12H,11,13H2,1-4H3
InChIKeyBIODSGPUCJTNTB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.10
Rot. Bonds1

About (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone

(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone (PubChem CID 147089757) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
PubChem CID147089757
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3cnn(C)c3Cc3ccccc32)c(C)c1C
InChIInChI=1S/C22H23N3O/c1-14-9-10-19(16(3)15(14)2)22(26)25-13-18-12-23-24(4)21(18)11-17-7-5-6-8-20(17)25/h5-10,12H,11,13H2,1-4H3
InChIKeyBIODSGPUCJTNTB-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 159598165
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
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
[3-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 161478657
[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
(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157289563
(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate
CID 162070934
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293868
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
CID 22099878
(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone?
The IUPAC name of (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone (CID 147089757) is (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone.
What is the SMILES notation for (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone?
The canonical SMILES for (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone is Cc1ccc(C(=O)N2Cc3cnn(C)c3Cc3ccccc32)c(C)c1C.
What is the InChIKey of (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone?
The InChIKey is BIODSGPUCJTNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-9-10-19(16(3)15(14)2)22(26)25-13-18-12-23-24(4)21(18)11-17-7-5-6-8-20(17)25/h5-10,12H,11,13H2,1-4H3.
What are the key properties of (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone?
(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone is sourced from PubChem (CID 147089757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).