TL;DR: 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide (CAS 1005690-93-6) is a chemical compound with molecular formula C18H21F3N4O3 and molecular weight 398.1566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
Also Known As: 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide, 1-METHYL-N-PROPYL-4-({4-[(2,2,2-TRIFLUOROETHOXY)METHYL]BENZOYL}AMINO)-1H-PYRAZOLE-5-CARBOXAMIDE, 1-methyl-N-propyl-4-[({4-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)amino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C18H21F3N4O3 |
| Molecular Weight | 398.1566 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1566 Da |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
| SMILES | CCCNC(=O)C1=C(C=NN1C)NC(=O)C2=CC=C(C=C2)COCC(F)(F)F |
| InChIKey | AEXYNQZOAWELGW-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide is 1005690-93-6.
The molecular formula of 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide is C18H21F3N4O3.
The molecular weight of 2-methyl-N-propyl-4-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-3-carboxamide is 398.1566 g/mol.
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