Cas no 89088-54-0 (1H-Pyrazole-5-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester)
89088-54-0 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester
CAS No:89088-54-0
MF:C12H15N3O2
MW:233.266402482986
CID:612801
Update Time:2023-11-18
1H-Pyrazole-5-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-carboxylic acid,3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester
- 5-carbomethoxy-3-(2,5-dimethylpyrrolyl)-1-methylpyrazole
- BHSWQSKXAWLAMC-UHFFFAOYSA-N
- CID 136166810
- 1H-Pyrazole-5-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester
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- Inchi： 1S/C12H15N3O2/c1-7-5-9(8(2)13-7)10-6-11(12(16)17-4)15(3)14-10/h5-6,13H,1-4H3
- InChI Key： BHSWQSKXAWLAMC-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(C2C=C(C)NC=2C)=NN1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 298
- Topological Polar Surface Area: 59.9
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 392.2±42.0 °C(Predicted)
- pka: -2?+-.0.10(Predicted)
1H-Pyrazole-5-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, methyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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