Cas no 870189-32-5 (1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-3-METHYL-1-(2-METHYLPHENYL)-)
870189-32-5 structure
Product Name:1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-3-METHYL-1-(2-METHYLPHENYL)-
CAS No:870189-32-5
MF:C12H12N4
MW:212.25048160553
CID:3232862
PubChem ID:59649784
Update Time:2025-04-21
1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-3-METHYL-1-(2-METHYLPHENYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-3-METHYL-1-(2-METHYLPHENYL)-
- DB-139619
- SCHEMBL5090417
- 5-Amino-3-methyl-1-(o-tolyl)-1H-pyrazole-4-carbonitrile
- QSNXAGNYGHUEAB-UHFFFAOYSA-N
- AKOS017558295
- 870189-32-5
- 5-amino-3-methyl-1-o-tolyl-1H-pyrazole-4-carbonitrile
-
- Inchi： 1S/C12H12N4/c1-8-5-3-4-6-11(8)16-12(14)10(7-13)9(2)15-16/h3-6H,14H2,1-2H3
- InChI Key： QSNXAGNYGHUEAB-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2C)C(N)=C(C#N)C(C)=N1
Computed Properties
- Exact Mass: 212.106196400Da
- Monoisotopic Mass: 212.106196400Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 295
- 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: 2.6
- Topological Polar Surface Area: 67.6?2
1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-3-METHYL-1-(2-METHYLPHENYL)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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