TL;DR: (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine (CAS 1009701-20-5) is a chemical compound with molecular formula C13H17N3 and molecular weight 215.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylethanamine
Also Known As: (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine, N-[(2-methylpyrazol-3-yl)methyl]-1-phenylethanamine, [(2-methylpyrazol-3-yl)methyl](1-phenylethyl)amine, N-[(2-methylpyrazol-3-yl)methyl]-1-phenyl-ethanamine
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.14224 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.14224 Da |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
| SMILES | CC(C1=CC=CC=C1)NCC2=CC=NN2C |
| InChIKey | LLBFEICCTQDJNG-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine. With a topological polar surface area (TPSA) of 29.9 Ų, (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine has 1 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 (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine is 1009701-20-5.
The molecular formula of (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine is C13H17N3.
The molecular weight of (2-Methyl-2H-pyrazol-3-ylmethyl)-(1-phenyl-ethyl)-amine is 215.14224 g/mol.
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