Cas no 120982-79-8 (1H-Pyrazole-1-aceticacid, 3,4-diphenyl-, ethyl ester)
120982-79-8 structure
Product Name:1H-Pyrazole-1-aceticacid, 3,4-diphenyl-, ethyl ester
CAS No:120982-79-8
MF:C19H18N2O2
MW:306.358424663544
CID:104858
PubChem ID:14699551
Update Time:2025-04-18
1H-Pyrazole-1-aceticacid, 3,4-diphenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-aceticacid, 3,4-diphenyl-, ethyl ester
- 4,5-DIPHENYL-1-(ETHOXYCARBONYLMETHYL)-PYRAZOLE
- ethyl 2-(4,5-diphenylpyrazol-1-yl)acetate
- 1H-Pyrazole-1-acetic acid,4,5-diphenyl-,ethyl ester
- ethyl 3,4-diphenyl-1H-pyrazole-1-acetate
- AKOS030255457
- SCHEMBL9877095
- USLGFBHQKZHFDW-UHFFFAOYSA-N
- ethyl 4,5-diphenyl-1H-pyrazole-1-acetate
- ethyl 4,5-diphenylpyrazole-1-acetate
- Ethyl 2-(4,5-diphenyl-1H-pyrazol-1-yl)acetate
- DTXSID80563148
- Ethyl (4,5-diphenyl-1H-pyrazol-1-yl)acetate
- 120982-79-8
- ethyl 4,5-diphenyl-1-H-pyrazole-1-acetate
-
- Inchi： 1S/C19H18N2O2/c1-2-23-18(22)14-21-19(16-11-7-4-8-12-16)17(13-20-21)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
- InChI Key： USLGFBHQKZHFDW-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C(C2C=CC=CC=2)=C(C=N1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 306.13700
- Monoisotopic Mass: 306.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 376
- 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: 3.9
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12000
- LogP: 3.78020
1H-Pyrazole-1-aceticacid, 3,4-diphenyl-, ethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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