TL;DR: 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine (CAS 156032-55-2) is a chemical compound with molecular formula C16H16N4 and molecular weight 264.13748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-9-phenyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
Also Known As: 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6-Dihydro-6-phenyl-6-phenyl-1-methyl-1H,4H-pyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine, Pyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine, 1,4,5,6-tetrahydro-1-methyl-6-phenyl-, 1-Methyl-6-phenyl-1,4,5,6-tetrahydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine, 3-methyl-9-phenyl-1,3,4,8-tetraazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
| Molecular Formula | C16H16N4 |
| Molecular Weight | 264.13748 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 34.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.13748 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | CN1C2=C(CNC(C3=CC=CN32)C4=CC=CC=C4)C=N1 |
| InChIKey | VDVINDHQGKCMOQ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine. With a topological polar surface area (TPSA) of 34.8 Ų, 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine is 156032-55-2.
The molecular formula of 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine is C16H16N4.
The molecular weight of 1,4,5,6-Tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine is 264.13748 g/mol.
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