Cas no 1440809-87-9 (3-(4-Methylthiophen-2-yl)-1H-pyrazol-5-amine)
1440809-87-9 structure
Product Name:3-(4-Methylthiophen-2-yl)-1H-pyrazol-5-amine
CAS No:1440809-87-9
MF:C8H9N3S
MW:179.242159605026
CID:5717265
PubChem ID:69948202
Update Time:2023-10-15
3-(4-Methylthiophen-2-yl)-1H-pyrazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- EN300-1150549
- SCHEMBL6966617
- 5-(4-methylthiophen-2-yl)-1H-pyrazol-3-amine
- 1440809-87-9
- 3-(4-Methylthiophen-2-yl)-1H-pyrazol-5-amine
-
- Inchi： 1S/C8H9N3S/c1-5-2-7(12-4-5)6-3-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
- InChI Key： BYZQSCGRKNMTBD-UHFFFAOYSA-N
- SMILES： S1C=C(C)C=C1C1=CC(N)=NN1
Computed Properties
- Exact Mass: 179.05171847g/mol
- Monoisotopic Mass: 179.05171847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 1.6
- Topological Polar Surface Area: 82.9?2
3-(4-Methylthiophen-2-yl)-1H-pyrazol-5-amine Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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