Cas no 105602-20-8 (2-(3-aminophenyl)-5-methylpyrazol-3-amine)
105602-20-8 structure
Product Name:2-(3-aminophenyl)-5-methylpyrazol-3-amine
CAS No:105602-20-8
MF:C10H12N4
MW:188.22908115387
CID:1156798
PubChem ID:20036839
Update Time:2025-04-20
2-(3-aminophenyl)-5-methylpyrazol-3-amine Chemical and Physical Properties
Names and Identifiers
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- 2-(3-aminophenyl)-5-methylpyrazol-3-amine
- SCHEMBL10580161
- DTXSID20601876
- 105602-20-8
- 1-(3-Aminophenyl)-3-methyl-1H-pyrazol-5-amine
-
- Inchi: 1S/C10H12N4/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,11-12H2,1H3
- InChI Key: VSHQQFPDBBHFIH-UHFFFAOYSA-N
- SMILES: N1(C(=CC(C)=N1)N)C1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 188.106196400g/mol
- Monoisotopic Mass: 188.106196400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 1.3
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.86000
- LogP: 2.50750
2-(3-aminophenyl)-5-methylpyrazol-3-amine Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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5. 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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