Cas no 512845-63-5 (3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile)
512845-63-5 structure
Product Name:3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile
CAS No:512845-63-5
MF:C7H11N5
MW:165.195739984512
CID:362644
PubChem ID:10997394
Update Time:2025-04-19
3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile
- 1H-Pyrazole-4-carbonitrile, 3-amino-5-(ethylamino)-1-methyl-
- 3-amino-5-(ethylamino)-1-methyl-pyrazole-4-carbonitrile
- 3-amino-5-(ethylamino)-1-methylpyrazole-4-carbonitrile
- DTXSID50451200
- FT-0759551
- 512845-63-5
-
- Inchi: 1S/C7H11N5/c1-3-10-7-5(4-8)6(9)11-12(7)2/h10H,3H2,1-2H3,(H2,9,11)
- InChI Key: RODMRYNSIJQIFA-UHFFFAOYSA-N
- SMILES: N1(C)C(=C(C#N)C(N)=N1)NCC
Computed Properties
- Exact Mass: 165.10163
- Monoisotopic Mass: 165.10144537g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 0.8
- Topological Polar Surface Area: 79.7?2
Experimental Properties
- PSA: 79.66
3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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