TL;DR: 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE (CAS 1005617-12-8) is a chemical compound with molecular formula C19H17BrN4O3 and molecular weight 428.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
Also Known As: 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE, 4-(4-((2-Bromophenoxy)methyl)benzamido)-1-methyl-1H-pyrazole-3-carboxamide, 4-[({4-[(2-bromophenoxy)methyl]phenyl}carbonyl)amino]-1-methyl-1H-pyrazole-3-carboxamide, 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methyl-pyrazole-3-carboxamide, 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
| Molecular Formula | C19H17BrN4O3 |
| Molecular Weight | 428.0484 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0484 Da |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
| SMILES | CN1C=C(C(=N1)C(=O)N)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br |
| InChIKey | GVHHTVJCDVDTDG-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE. Following Lipinski's Rule of Five, 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE has 2 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 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE is 1005617-12-8.
The molecular formula of 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE is C19H17BrN4O3.
The molecular weight of 4-({4-[(2-BROMOPHENOXY)METHYL]BENZOYL}AMINO)-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE is 428.0484 g/mol.
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