Cas no 169548-94-1 (ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE)
169548-94-1 structure
Product Name:ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
CAS No:169548-94-1
MF:C13H13ClN2O2
MW:264.707522153854
CID:905186
PubChem ID:4282610
Update Time:2025-04-19
ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
-
- ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
- 1-(4-CHLOROPHENYL)-5-CYANO-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- 1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
- 5-cyano-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid,ethyl ester
- A11281
- ACN-000111
- AK139407
- ethyl 1-(4-chlorophenyl)-5-
- KB-214638
- SureCN6403718
- SALOR-INT L317527-1EA
- YWRLBGSTYHJMRY-UHFFFAOYSA-N
- AKOS009166470
- 169548-94-1
- ethyl 1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylate
- SCHEMBL5680826
- ethyl 1-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-carboxylate
-
- Inchi： 1S/C13H13ClN2O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3
- InChI Key： YWRLBGSTYHJMRY-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)N1C(C)=C(C(=O)OCC)C=N1
Computed Properties
- Exact Mass: 264.06700
- Monoisotopic Mass: 264.0665554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 293
- 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: 3.1
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12000
- LogP: 3.01080
ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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