Cas no 72760-86-2 (1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)-)
72760-86-2 structure
Product Name:1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)-
CAS No:72760-86-2
MF:C6H9N5
MW:151.169159650803
CID:550329
PubChem ID:70566390
Update Time:2025-04-19
1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)-
- SCHEMBL11338115
- 72760-86-2
- DTXSID301218378
- 3-Amino-5-(dimethylamino)-1H-pyrazole-4-carbonitrile
-
- Inchi： 1S/C6H9N5/c1-11(2)6-4(3-7)5(8)9-10-6/h1-2H3,(H3,8,9,10)
- InChI Key： GJLBEODTEFUOEM-UHFFFAOYSA-N
- SMILES： N(C)(C)C1C(C#N)=C(N)NN=1
Computed Properties
- Exact Mass: 151.08597
- Monoisotopic Mass: 151.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 81.7A^2
- XLogP3: 0.6
Experimental Properties
- PSA: 81.73
1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
72760-86-2 (1H-Pyrazole-4-carbonitrile,3-amino-5-(dimethylamino)-) Related Products
- 43024-15-3(4-Ethyl-1H-pyrazol-3-amine)
- 21230-50-2(1-Methyl-3-amino-4-cyanopyrazole)
- 512845-61-3(1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl-)
- 27772-42-5(Pyridazine, 3-(dimethylamino)-4-isopropyl- (8CI))
- 16617-46-2(3-amino-1H-pyrazole-4-carbonitrile)
- 5334-41-8(5-amino-1-methyl-pyrazole-4-carbonitrile)
- 119581-52-1(3-Aminopyridazine-4-carbonitrile)
- 14246-91-4(5-Pyrimidinecarbonitrile,4-(dimethylamino)-)
- 178613-52-0(Butanamide,N-(4-cyano-1H-pyrazol-3-yl)-)
- 512845-63-5(3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile)
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