TL;DR: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide (CAS 515122-62-0) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide
Also Known As: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide, N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-9H-xanthene-9-carboxamide, N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl}xanthen-9-ylcarboxamide, N-{3,5-DIMETHYL-1-[(4-METHYLPHENYL)METHYL]-1H-PYRAZOL-4-YL}-9H-XANTHENE-9-CARBOXAMIDE
| Molecular Formula | C27H25N3O2 |
| Molecular Weight | 423.19467 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.19467 Da |
| Heavy Atoms | 32 |
| Complexity | 627.0 |
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C |
| InChIKey | FRYAXGJWPAATLJ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide is 515122-62-0.
The molecular formula of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide is C27H25N3O2.
The molecular weight of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-9H-xanthene-9-carboxamide is 423.19467 g/mol.
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