3-(3-amino-1H-pyrazol-1-yl)-N-(propan-2-yl)propanamide(CAS番号:1247991-59-8)

基本情報

3-(3-amino-1H-pyrazol-1-yl)-N-(propan-2-yl)propanamide

CAS番号

1247991-59-8

分子式

C9H16N4O

分子量

196.25 g/mol

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基本的な物理特性

沸点

446.2±25.0 °C(Predicted)

密度

1.21±0.1 g/cm3(Predicted)

SMILES

CC(C)NC(=O)CCN1C=CC(=N1)N

InChI

InChI=1S/C9H16N4O/c1-7(2)11-9(14)4-6-13-5-3-8(10)12-13/h3,5,7H,4,6H2,1-2H3,(H2,10,12)(H,11,14)

InChIKey

DBENIRDOHXQMJW-UHFFFAOYSA-N

LogP

0.3799999999999998

pKa

15.67±0.46(Predicted)

トポロジカル極性表面積

72.94 Ų

水素結合ドナー/アクセプター

3 / 5

複雑度

195

分類と用途

安全情報

安全情報を表示

同義語と参考文献

英語

  • CS-0293683
  • 1247991-59-8
  • 3-(3-Amino-1h-pyrazol-1-yl)-N-isopropylpropanamide
  • EN300-804863
  • 3-(3-amino-1H-pyrazol-1-yl)-N-(propan-2-yl)propanamide
  • AKOS011916554
  • 1H-Pyrazole-1-propanamide, 3-amino-N-(1-methylethyl)-

MDL_Number

MFCD16827755

CAS番号

1247991-59-8

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