Cas no 903567-11-3 (Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate)
903567-11-3 structure
Product Name:Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate
CAS No:903567-11-3
MF:C13H15N3O2
MW:245.277102708817
CID:2136418
PubChem ID:53401262
Update Time:2025-04-21
Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate
- CPMHACBRYYIVDA-UHFFFAOYSA-N
- Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)ben zoate
- SCHEMBL4295664
- 903567-11-3
- DB-078657
-
- Inchi： 1S/C13H15N3O2/c1-3-18-13(17)10-5-4-6-11(8-10)16-12(14)7-9(2)15-16/h4-8H,3,14H2,1-2H3
- InChI Key： CPMHACBRYYIVDA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CC(=C1)N1C(=CC(C)=N1)N)=O
Computed Properties
- Exact Mass: 245.116
- Monoisotopic Mass: 245.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 298
- 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
- XLogP3: 2.2
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- Density: 1.23
- Boiling Point: 414.3 °C at 760 mmHg
- Flash Point: 204.3 °C
Ethyl 3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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