Cas no 157469-54-0 (1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]-)
![1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/157500/157469-54-0x500.png)
157469-54-0 structure
Product Name:1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]-
CAS No:157469-54-0
MF:C11H14N4
MW:202.255661487579
CID:1334676
PubChem ID:9815609
Update Time:2025-04-20
1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]-
- 2-[(4-methylphenyl)methyl]pyrazole-3,4-diamine
- DTXSID30431166
- SCHEMBL145302
- 157469-54-0
- BYYOWEYWJDNTBJ-UHFFFAOYSA-N
- 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole
-
- Inchi： 1S/C11H14N4/c1-8-2-4-9(5-3-8)7-15-11(13)10(12)6-14-15/h2-6H,7,12-13H2,1H3
- InChI Key： BYYOWEYWJDNTBJ-UHFFFAOYSA-N
- SMILES： N1(C(=C(C=N1)N)N)CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 202.12202
- Monoisotopic Mass: 202.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 1.2
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.86
1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
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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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
157469-54-0 (1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]-) Related Products
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