Cas no 129560-00-5 (1H-Pyrazole-5-carbonylchloride, 4-chloro-3-ethyl-1-methyl-)
129560-00-5 structure
Product Name:1H-Pyrazole-5-carbonylchloride, 4-chloro-3-ethyl-1-methyl-
CAS No:129560-00-5
MF:C7H8Cl2N2O
MW:207.05721950531
CID:102928
PubChem ID:45081914
Update Time:2025-04-18
1H-Pyrazole-5-carbonylchloride, 4-chloro-3-ethyl-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonylchloride, 4-chloro-3-ethyl-1-methyl-
- 4-CHLORO-3-ETHYL-1-METHYL-5-PYRAZOLECARBONYLCHLORIDE
- 1H-Pyrazole-5-carbonyl chloride, 4-chloro-3-ethyl-1-methyl- (9CI)
- 4-chloro-5-ethyl-2-methylpyrazole-3-carbonyl chloride
- 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid chloride
- 4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxylic acid chloride
- JDTKMFFTJSSMPR-UHFFFAOYSA-N
- SCHEMBL9043817
- 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonylchloride
- 1H-PYRAZOLE-5-CARBONYL CHLORIDE, 4-CHLORO-3-ETHYL-1-METHYL-
- DTXSID80664947
- 129560-00-5
- 4-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
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- Inchi： 1S/C7H8Cl2N2O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3
- InChI Key： JDTKMFFTJSSMPR-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)Cl)N(C)N=C1CC
Computed Properties
- Exact Mass: 206.00154
- Monoisotopic Mass: 206.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- 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
- Topological Polar Surface Area: 34.9A^2
- XLogP3: 2.5
Experimental Properties
- PSA: 34.89
1H-Pyrazole-5-carbonylchloride, 4-chloro-3-ethyl-1-methyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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