Cas no 618092-32-3 (Ethyl 5-methyl-1-P-tolyl-1H-pyrazole-4-carboxylate)
618092-32-3 structure
Product Name:Ethyl 5-methyl-1-P-tolyl-1H-pyrazole-4-carboxylate
CAS No:618092-32-3
MF:C14H16N2O2
MW:244.289043426514
CID:955281
Update Time:2023-08-02
Ethyl 5-methyl-1-P-tolyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ETHYL 5-METHYL-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXYLATE
- ETHYL 5-METHYL-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
- ethyl 5-methyl-1(4-methylphenyl)-pyrazole-4-carboxylate
- Ethyl 5-methyl-1-P-tolyl-1H-pyrazole-4-carboxylate
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- Inchi： 1S/C14H16N2O2/c1-4-18-14(17)13-9-15-16(11(13)3)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
- InChI Key： QCHQXWJIFQCZCD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NN(C2C=CC(C)=CC=2)C=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 288
- Topological Polar Surface Area: 44.1
Ethyl 5-methyl-1-P-tolyl-1H-pyrazole-4-carboxylate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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