Cas no 7189-01-7 (1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, methyl ester)
7189-01-7 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, methyl ester
CAS No:7189-01-7
MF:C12H12N2O2
MW:216.235882759094
CID:544864
PubChem ID:827526
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, methyl ester
- Methyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
- methyl 5-methyl-1-phenylpyrazole-4-carboxylate
- 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester
- METHYL5-METHYL-1-PHENYLPYRAZOLE-4-CARBOXYLATE
- QABZRJJIDFDUTP-UHFFFAOYSA-N
- SCHEMBL771490
- 7189-01-7
- FT-0718426
- DTXSID80356633
-
- MDL： MFCD00067825
- Inchi： 1S/C12H12N2O2/c1-9-11(12(15)16-2)8-13-14(9)10-6-4-3-5-7-10/h3-8H,1-2H3
- InChI Key： QABZRJJIDFDUTP-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NN(C2C=CC=CC=2)C=1C)=O
Computed Properties
- Exact Mass: 216.08996
- Monoisotopic Mass: 216.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 2.1
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12
1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, methyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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