Cas no 129506-39-4 (1H-Pyrazole-5-carbonylchloride, 1-cyclobutyl-3-methyl-)
129506-39-4 structure
Product Name:1H-Pyrazole-5-carbonylchloride, 1-cyclobutyl-3-methyl-
CAS No:129506-39-4
MF:C9H11ClN2O
MW:198.649441003799
CID:102944
PubChem ID:15136781
Update Time:2025-04-18
1H-Pyrazole-5-carbonylchloride, 1-cyclobutyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonylchloride, 1-cyclobutyl-3-methyl-
- 1H-Pyrazole-5-carbonyl chloride, 1-cyclobutyl-3-methyl- (9CI)
- 2-cyclobutyl-5-methylpyrazole-3-carbonyl chloride
- 1-cyclobutyl-3-methyl-1H-pyrazole-5-carboxylic acid chloride
- XPLJWGJLCHMSNT-UHFFFAOYSA-N
- SCHEMBL9681838
- 1H-Pyrazole-5-carbonyl chloride,1-cyclobutyl-3-methyl-(9ci)
- DTXSID70568829
- 129506-39-4
- 1-CYCLOBUTYL-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
-
- Inchi： 1S/C9H11ClN2O/c1-6-5-8(9(10)13)12(11-6)7-3-2-4-7/h5,7H,2-4H2,1H3
- InChI Key： XPLJWGJLCHMSNT-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(C)=NN1C1CCC1)=O
Computed Properties
- Exact Mass: 198.05613
- Monoisotopic Mass: 198.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 2.3
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole-5-carbonylchloride, 1-cyclobutyl-3-methyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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