TL;DR: N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide (CAS 1005695-95-3) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
Also Known As: N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide, N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide, N-[(2,4-dimethylphenyl)ethyl][1-(phenoxymethyl)pyrazol-3-yl]carboxamide
| Molecular Formula | C21H23N3O2 |
| Molecular Weight | 349.17902 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.17902 Da |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
| SMILES | CC1=CC(=C(C=C1)C(C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C |
| InChIKey | GPEHKRCXWIVZQB-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide 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 N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is 1005695-95-3.
The molecular formula of N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is C21H23N3O2.
The molecular weight of N-[1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is 349.17902 g/mol.
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