Cas no 618092-36-7 (Ethyl 5-methyl-1-O-tolyl-1H-pyrazole-4-carboxylate)
618092-36-7 structure
Product Name:Ethyl 5-methyl-1-O-tolyl-1H-pyrazole-4-carboxylate
CAS No:618092-36-7
MF:C14H16N2O2
MW:244.289043426514
CID:955282
Update Time:2023-08-02
Ethyl 5-methyl-1-O-tolyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ETHYL 5-METHYL-1-O-TOLYL-1H-PYRAZOLE-4-CARBOXYLATE
- ETHYL 5-METHYL-1-(2-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
- Ethyl 5-methyl-1-O-tolyl-1H-pyrazole-4-carboxylate
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- Inchi： 1S/C14H16N2O2/c1-4-18-14(17)12-9-15-16(11(12)3)13-8-6-5-7-10(13)2/h5-9H,4H2,1-3H3
- InChI Key： RLPSPOKZLPVRGA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NN(C2C=CC=CC=2C)C=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 296
- XLogP3: 2.9
- Topological Polar Surface Area: 44.1
Ethyl 5-methyl-1-O-tolyl-1H-pyrazole-4-carboxylate Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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