Cas no 78703-54-5 (Methyl 1,5-dimethylpyrazole-4-carboxylate)
78703-54-5 structure
Product Name:Methyl 1,5-dimethylpyrazole-4-carboxylate
CAS No:78703-54-5
MF:C7H10N2O2
MW:154.166501522064
CID:2138827
PubChem ID:12654286
Update Time:2024-03-01
Methyl 1,5-dimethylpyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,5-dimethylpyrazole-4-carboxylic acid methyl ester
- methyl 1,5-dimethylpyrazole-4-carboxylate
- SBB024748
- STK351707
- ST45127843
- methyl 1,5-dimethyl-1H-pyrazole-4-carboxylate
- Methyl 1,5-dimethylpyrazole-4-carboxylate
-
- Inchi： 1S/C7H10N2O2/c1-5-6(7(10)11-3)4-8-9(5)2/h4H,1-3H3
- InChI Key： IFTFDQGCTIBBPM-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NN(C)C=1C)=O
Computed Properties
- Exact Mass: 154.074227566g/mol
- Monoisotopic Mass: 154.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 44.1
- XLogP3: 0.5
Methyl 1,5-dimethylpyrazole-4-carboxylate Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
78703-54-5 (Methyl 1,5-dimethylpyrazole-4-carboxylate) Related Products
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- 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)
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