当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00324204 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazol

ZINC00324204 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazol

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:ZINC00324204 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazole-3-carboxamide,Canonical SMILES: CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC(C)C)C,InChI: InChI=1/C22H25N3O/c1-15(2)14-23-22(26)21-13-19(18-8-6-5-7-9-18)24-25(21),20-11-10-16(
[Synonyms]
ZINC00324204
[Structure]
ZINC00324204 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazol

[ Properties Computed from Structure]
Molecular Weight347.4534 [g/mol]
Molecular FormulaC22H25N3O
XLogP5.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass347.199762
MonoIsotopic Mass347.199762
Topological Polar Surface Area46.9
Heavy Atom Count26
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazole-3-carboxamide
Canonical SMILES: CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC(C)C)C
InChI: InChI=1/C22H25N3O/c1-15(2)14-23-22(26)21-13-19(18-8-6-5-7-9-18)24-25(21)
20-11-10-16(3)12-17(20)4/h5-13,15H,14H2,1-4H3,(H,23,26)/f/h23H

 
本文导航:
  • (1) ZINC00324204 2-(2,4-dimethylphenyl)-N-(2-methylpropyl)-5-phenylpyrazol
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注