Cas no 717871-87-9 (1H-Pyrazole-5-carbonylchloride, 1-methyl-3-propyl-)
717871-87-9 structure
Product Name:1H-Pyrazole-5-carbonylchloride, 1-methyl-3-propyl-
CAS No:717871-87-9
MF:C8H11ClN2O
MW:186.638740777969
CID:558279
PubChem ID:45081587
Update Time:2025-04-19
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonylchloride, 1-methyl-3-propyl-
- 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-propyl- (9CI)
- 2-methyl-5-propylpyrazole-3-carbonyl chloride
- 1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
- 717871-87-9
- DTXSID20664704
- SCHEMBL3055278
-
- Inchi： 1S/C8H11ClN2O/c1-3-4-6-5-7(8(9)12)11(2)10-6/h5H,3-4H2,1-2H3
- InChI Key： SCEOSMQVQQJQQQ-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(CCC)=NN1C)=O
Computed Properties
- Exact Mass: 186.056
- Monoisotopic Mass: 186.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 174
- 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: 2.3
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-propyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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