TL;DR: N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine (CAS 1031226-69-3) is a chemical compound with molecular formula C16H24N4 and molecular weight 272.2001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-diethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
Also Known As: N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine, N',N'-diethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine, N,N-diethyl-N'-[(3-phenyl-2H-pyrazol-4-yl)methyl]ethane-1,2-diamine, N~1~,N~1~-Diethyl-N~2~-[(3-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
| Molecular Formula | C16H24N4 |
| Molecular Weight | 272.2001 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.2001 Da |
| Heavy Atoms | 20 |
| Complexity | 249.0 |
| SMILES | CCN(CC)CCNCC1=C(NN=C1)C2=CC=CC=C2 |
| InChIKey | VPWQYXDHRXTSBF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine. With a topological polar surface area (TPSA) of 44.0 Ų, N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine has 2 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 N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine is 1031226-69-3.
The molecular formula of N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine is C16H24N4.
The molecular weight of N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine is 272.2001 g/mol.
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