Cas no 122818-18-2 (1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester)
122818-18-2 structure
Product Name:1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester
CAS No:122818-18-2
MF:C7H8N2O2
MW:152.150621414185
CID:104397
PubChem ID:14149255
Update Time:2025-04-18
1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester
- 1H-Pyrazole-5-carboxylicacid, 1-ethenyl-, methyl ester
- 1H-Pyrazole-5-carboxylicacid,1-ethenyl-,methylester(9CI)
- methyl 2-ethenylpyrazole-3-carboxylate
- Methyl 1-ethenyl-1H-pyrazole-5-carboxylate
- 122818-18-2
- DTXSID10556649
- Methyl 1-vinyl-1H-pyrazole-5-carboxylate
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- Inchi: 1S/C7H8N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h3-5H,1H2,2H3
- InChI Key: XEYPSBRKIJGKTI-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC=NN1C=C)=O
Computed Properties
- Exact Mass: 152.05900
- Monoisotopic Mass: 152.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 1
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12000
- LogP: 0.77020
1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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