TL;DR: Pyrazole, 4-amino-3,5-dimethyl- (CAS 5272-86-6) is a chemical compound with molecular formula C5H9N3 and molecular weight 111.07965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-1H-pyrazol-4-amine
Also Known As: 3,5-Dimethyl-1H-pyrazol-4-amine, null, 4-Amino-3,5-dimethylpyrazole, 3,5-Dimethyl-1H-pyrazol-4-ylamine, 4-ylamine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H9N3 |
| Molecular Weight | 111.07965 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.07965 Da |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
| SMILES | CC1=C(C(=NN1)C)N |
| InChIKey | LNVWRBNPXCUYJI-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 4-amino-3,5-dimethyl-. With a topological polar surface area (TPSA) of 54.7 Ų, Pyrazole, 4-amino-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 4-amino-3,5-dimethyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazole, 4-amino-3,5-dimethyl- is 5272-86-6.
The molecular formula of Pyrazole, 4-amino-3,5-dimethyl- is C5H9N3.
The molecular weight of Pyrazole, 4-amino-3,5-dimethyl- is 111.07965 g/mol.
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