4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole
TL;DR: 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole (CAS 157469-54-0) is a chemical compound with molecular formula C11H14N4 and molecular weight 202.12184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
Also Known As: 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole, 2-[(4-methylphenyl)methyl]pyrazole-3,4-diamine, 1-[(4-methylphenyl)methyl]-1h-pyrazole-4,5-diamine, 1H-Pyrazole-4,5-diamine,1-[(4-methylphenyl)methyl], 1H-Pyrazole-4,5-diamine, 1-[(4-methylphenyl)methyl]-
Technical Specifications
| Molecular Formula | C11H14N4 |
| Molecular Weight | 202.12184 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.12184 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C=N2)N)N |
| InChIKey | BYYOWEYWJDNTBJ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole
Property Insights of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole. Following Lipinski's Rule of Five, 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole?
The CAS number of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole is 157469-54-0.
What is the molecular formula of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole?
The molecular formula of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole is C11H14N4.
What is the molecular weight of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole?
The molecular weight of 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole is 202.12184 g/mol.
Where can I buy 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole?
You can request a quote for 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 4,5-diamino-1-(4-methylbenzyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.