6-Amino-4-[4-(dimethylamino)phenyl]-1,4-dihydro-3-methylpyrano[2,3-c]pyrazole-5-carbonitrile
基本情報
- CAS
89607-44-3- 標準SMILES
Cc1[nH]nc2c1C(c1ccc(N(C)C)cc1)C(C#N)=C(N)O2- InChIKey
CCANERATVKOGKT-UHFFFAOYSA-N- 分子式
- C16H17N5O
- 平均分子量
- 295.34 g/mol
- 単同位体質量
- 295.14331018
名称と識別子
- 優先名称
- 6-Amino-4-[4-(dimethylamino)phenyl]-1,4-dihydro-3-methylpyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[4-(dimethylamino)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 英語名
- Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-(dimethylamino)phenyl]-1,4-dihydro-3-methyl-
- 分子式
- C16H17N5O
- 分子量
- 295.34
名称と別名
89607-44-36-Amino-4-[4-(dimethylamino)phenyl]-1,4-dihydro-3-methylpyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-4-(4-(dimethylamino)phenyl)-1,4-dihydro-3-methylpyrano(2,3-c)pyrazole-5-carbonitrile6-amino-4-(4-(dimethylamino)phenyl)-1,4-dihydro-3-methylpyrano[2,3-c]pyrazole-5-carbonitrileRefChem:3071106-amino-4-[4-(dimethylamino)phenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileMFCD002453326-amino-4-[4-(dimethylamino)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-(dimethylamino)phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileCambridge id 5255570312510-15-9CHEMBL4289008
名称をさらに表示
6-AMINO-4(4-(DI-ME-AMINO)PH)3-ME-1,4-DIHYDROPYRANO(2,3-C)PYRAZOLE-5-CARBONITRILEPyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-(dimethylamino)phenyl]-1,4-dihydro-3-methyl-
DTXSID601120463STK005233AKOS000575635AKOS003681548AKOS0162958296-amino-4-[4-(dimethylamino)phenyl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrileST037466ZINC000004565434
データベース識別子
- CAS
89607-44-3- PubChem CID
- 2837627
- ChEMBL
CHEMBL4289008- Nikkaji
- J2.973.842D、J3.340.317H
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 91 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 500
物理化学的性質
- 融点
- 218 °C · 218 °C(Solv: ethanol (64-17-5))
- 沸点
- 577.5 · 577.5±50.0 °C(Predicted)
- 比重(密度)
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 11.8 · 11.80±0.70(Predicted)
関連反応
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