Cas no 618070-53-4 (ETHYL 1-(4-CHLOROBENZYL)-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLATE)
618070-53-4 structure
Product Name:ETHYL 1-(4-CHLOROBENZYL)-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLATE
CAS No:618070-53-4
MF:C19H17ClN2O2
MW:340.803483724594
CID:955226
PubChem ID:3712784
Update Time:2025-04-19
ETHYL 1-(4-CHLOROBENZYL)-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
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- ETHYL 1-(4-CHLOROBENZYL)-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLATE
- Ethyl 1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate
- AKOS024407501
- 618070-53-4
- DTXSID201160996
-
- Inchi： 1S/C19H17ClN2O2/c1-2-24-19(23)18-12-17(15-6-4-3-5-7-15)21-22(18)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
- InChI Key： MBUXRFNLZCQKJX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CN1C(C(=O)OCC)=CC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 340.09800
- Monoisotopic Mass: 340.0978555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 406
- 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: 4.7
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12000
- LogP: 4.42850
ETHYL 1-(4-CHLOROBENZYL)-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLATE Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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