TL;DR: 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CAS 1005585-50-1) is a chemical compound with molecular formula C16H19ClN8O2 and molecular weight 390.13196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
Also Known As: 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide, 4-{[(4-chloro-3-methyl-1H-pyrazol-1-yl)acetyl]amino}-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide, 4-{[2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)ACETYL]AMINO}-1-METHYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C16H19ClN8O2 |
| Molecular Weight | 390.13196 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.13196 Da |
| Heavy Atoms | 27 |
| Complexity | 553.0 |
| SMILES | CC1=NN(C=C1Cl)CC(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C |
| InChIKey | VJZLFKLKHAARQH-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide 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 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is 1005585-50-1.
The molecular formula of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is C16H19ClN8O2.
The molecular weight of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is 390.13196 g/mol.
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