TL;DR: N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CAS 1005696-08-1) is a chemical compound with molecular formula C18H21Cl2N3O2 and molecular weight 381.10107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
Also Known As: N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide, {1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl}-N-cycloheptylcarboxamide, N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide, N~3~-CYCLOHEPTYL-1-[(2,3-DICHLOROPHENOXY)METHYL]-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C18H21Cl2N3O2 |
| Molecular Weight | 381.10107 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.10107 Da |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
| SMILES | C1CCCC(CC1)NC(=O)C2=NN(C=C2)COC3=C(C(=CC=C3)Cl)Cl |
| InChIKey | LUAASGBDQDEXOZ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]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-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide is 1005696-08-1.
The molecular formula of N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide is C18H21Cl2N3O2.
The molecular weight of N-cycloheptyl-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide is 381.10107 g/mol.
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