Cas no 125103-56-2 (1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl-)
125103-56-2 structure
Product Name:1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl-
CAS No:125103-56-2
MF:C17H23N3O
MW:285.3840239048
CID:145804
PubChem ID:3079325
Update Time:2025-04-19
1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl-
- N-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
- N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide
- AC1MIT9P
- ACMC-20mrct
- AG-D-53157
- BRN 4194990
- CTK4B4235
- LS-127889
- DTXSID00154653
- 125103-56-2
- AKOS017150014
- 1H-Pyrazole-4-acetamide, N-butyl-3,5-dimethyl-1-phenyl-
-
- Inchi： 1S/C17H23N3O/c1-4-5-11-18-17(21)12-16-13(2)19-20(14(16)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
- InChI Key： TYEQOPUQTBJCKA-UHFFFAOYSA-N
- SMILES： O=C(CC1C(C)=NN(C2C=CC=CC=2)C=1C)NCCCC
Computed Properties
- Exact Mass: 285.18429
- Monoisotopic Mass: 285.184
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 328
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 3.2
- Topological Polar Surface Area: 46.9?2
Experimental Properties
- Density: 1.08
- Boiling Point: 490.3°C at 760 mmHg
- Flash Point: 250.4°C
- Refractive Index: 1.565
- PSA: 46.92
1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
125103-56-2 (1H-Pyrazole-4-acetamide,N-butyl-3,5-dimethyl-1-phenyl-) Related Products
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