Cas no 741717-64-6 (1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester)
741717-64-6 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester
CAS No:741717-64-6
MF:C13H14N2O2
MW:230.262463092804
CID:1766385
PubChem ID:11229970
Update Time:2025-04-21
1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester
- DKJRIRPFTRCMQG-UHFFFAOYSA-N
- 741717-64-6
- SCHEMBL1195182
- DTXSID801174397
- ethyl 1-(2-methylphenyl)-1H-pyrazole-4-carboxylate
-
- Inchi： 1S/C13H14N2O2/c1-3-17-13(16)11-8-14-15(9-11)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3
- InChI Key： DKJRIRPFTRCMQG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NN(C=1)C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 230.105527694g/mol
- Monoisotopic Mass: 230.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 270
- 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: 2.5
- Topological Polar Surface Area: 44.1?2
1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
741717-64-6 (1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-, ethyl ester) Related Products
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