Cas no 69413-05-4 (1H-Pyrazole, 1-(chloroacetyl)-3-methyl-)
69413-05-4 structure
Product Name:1H-Pyrazole, 1-(chloroacetyl)-3-methyl-
CAS No:69413-05-4
MF:C6H7ClN2O
MW:158.58558011055
CID:391817
PubChem ID:45080723
Update Time:2025-04-19
1H-Pyrazole, 1-(chloroacetyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(chloroacetyl)-3-methyl-
- 1H-Pyrazole, 1-(chloroacetyl)-3-methyl- (9CI)
- 2-chloro-1-(3-methylpyrazol-1-yl)ethanone
- 2-Chloro-1-(3-methyl-1H-pyrazol-1-yl)ethanone
- 69413-05-4
- AKOS006388229
- DTXSID30664078
- 2-Chloro-1-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
-
- Inchi： 1S/C6H7ClN2O/c1-5-2-3-9(8-5)6(10)4-7/h2-3H,4H2,1H3
- InChI Key： XEXXDJBIVPKAJM-UHFFFAOYSA-N
- SMILES： ClCC(N1C=CC(C)=N1)=O
Computed Properties
- Exact Mass: 158.02481
- Monoisotopic Mass: 158.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.1
Experimental Properties
- PSA: 34.89
1H-Pyrazole, 1-(chloroacetyl)-3-methyl- Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
69413-05-4 (1H-Pyrazole, 1-(chloroacetyl)-3-methyl-) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent