TL;DR: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (CAS 880391-34-4) is a chemical compound with molecular formula C27H25ClN4O2 and molecular weight 472.1666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-propan-2-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-propan-2-ylphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-propan-2-ylphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-isopropylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C27H25ClN4O2 |
| Molecular Weight | 472.1666 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1666 Da |
| Heavy Atoms | 34 |
| Complexity | 715.0 |
| SMILES | CC1=CC(=C(C=C1Cl)C2=NNC3=C2C(N(C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)C(C)C)O |
| InChIKey | IASRORZCQQNLGF-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one. Following Lipinski's Rule of Five, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 880391-34-4.
The molecular formula of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is C27H25ClN4O2.
The molecular weight of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 472.1666 g/mol.
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