TL;DR: J3.401.074I (CAS 1005636-29-2) is a chemical compound with molecular formula C17H20N6O3 and molecular weight 356.1597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
Also Known As: J3.401.074I, 4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide, 4-[[[5-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-1-ethyl-1H-pyrazole-3-carboxamide, 4-[({5-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}CARBONYL)AMINO]-1-ETHYL-1H-PYRAZOLE-3-CARBOXAMIDE, 4-[({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-1-ethyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C17H20N6O3 |
| Molecular Weight | 356.1597 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1597 Da |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
| SMILES | CCN1C=C(C(=N1)C(=O)N)NC(=O)C2=CC=C(O2)CN3C(=CC(=N3)C)C |
| InChIKey | UACIRNBAOPGVCY-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.401.074I. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.401.074I. Following Lipinski's Rule of Five, J3.401.074I has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of J3.401.074I is 1005636-29-2.
The molecular formula of J3.401.074I is C17H20N6O3.
The molecular weight of J3.401.074I is 356.1597 g/mol.
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