TL;DR: 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine (CAS 1004451-70-0) is a chemical compound with molecular formula C9H12ClN5 and molecular weight 225.07812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-5-amine
Also Known As: 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine, 4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-5-amine, 4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine, 4-Chloro-2-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-2H-pyrazol-3-ylamine, 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-chloropyrazole-5-ylamine
| Molecular Formula | C9H12ClN5 |
| Molecular Weight | 225.07812 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.07812 Da |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| SMILES | CC1=NN(C=C1CN2C(=C(C=N2)Cl)N)C |
| InChIKey | UILKRMURBNXKBH-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine is 1004451-70-0.
The molecular formula of 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine is C9H12ClN5.
The molecular weight of 4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine is 225.07812 g/mol.
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