Cas no 1017784-36-9 (1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester)
1017784-36-9 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester
CAS No:1017784-36-9
MF:C11H9FN2O2
MW:220.199765920639
CID:97941
PubChem ID:57346181
Update Time:2025-04-18
1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester
- methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate
- METHYL 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
- 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxylic acid methyl ester
- A800452
- METHYL3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
- LH0013
- FT-0697178
- 1017784-36-9
-
- Inchi: 1S/C11H9FN2O2/c1-16-11(15)9-6-13-14-10(9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
- InChI Key: NWTXJKXDLBSRDG-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)C1=C(C(=O)OC)C=NN1
Computed Properties
- Exact Mass: 220.064806g/mol
- Monoisotopic Mass: 220.064806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 254
- 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
- Molecular Weight: 220.2g/mol
- XLogP3: 1.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 50.36000
- LogP: 1.42140
1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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