TL;DR: N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane (CAS 121196-74-5) is a chemical compound with molecular formula C14H23N5O and molecular weight 277.19025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol
Also Known As: J1.732.018A, 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol, [N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane], 2-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}ethan-1-ol, N,N-bis(3,5-dimethylpyrazol-1-yl-methyl)1-hydroxy-2-aminoethane
| Molecular Formula | C14H23N5O |
| Molecular Weight | 277.19025 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.19025 Da |
| Heavy Atoms | 20 |
| Complexity | 277.0 |
| SMILES | CC1=CC(=NN1CN(CCO)CN2C(=CC(=N2)C)C)C |
| InChIKey | ZHGCYFVHHLQKKA-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane. With a topological polar surface area (TPSA) of 59.1 Ų, N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane is 121196-74-5.
The molecular formula of N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane is C14H23N5O.
The molecular weight of N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane is 277.19025 g/mol.
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