Cas no 37744-42-6 (1H-Pyrazole-3-carboxylicacid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester)
37744-42-6 structure
Product Name:1H-Pyrazole-3-carboxylicacid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
CAS No:37744-42-6
MF:C11H10ClN3O2
MW:251.669001102448
CID:306721
PubChem ID:216821
Update Time:2025-04-19
1H-Pyrazole-3-carboxylicacid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylicacid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
- (5-Chloro-3-pyridinyl)methyl 5-methyl-1H-pyrazole-3-carboxylate
- 37744-42-6
- 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
- BRN 0660432
- DTXSID20191186
-
- Inchi： 1S/C11H10ClN3O2/c1-7-2-10(15-14-7)11(16)17-6-8-3-9(12)5-13-4-8/h2-5H,6H2,1H3,(H,14,15)
- InChI Key： YPHZQMMVDAMBHK-UHFFFAOYSA-N
- SMILES： ClC1=CN=CC(=C1)COC(C1C=C(C)NN=1)=O
Computed Properties
- Exact Mass: 251.0463
- Monoisotopic Mass: 251.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 277
- 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: 1.9
- Topological Polar Surface Area: 67.9?2
Experimental Properties
- Density: 1.39
- Boiling Point: 456.2°Cat760mmHg
- Flash Point: 229.7°C
- Refractive Index: 1.611
- PSA: 67.87
1H-Pyrazole-3-carboxylicacid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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