TL;DR: (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one (CAS 1009469-25-3) is a chemical compound with molecular formula C30H27N5O3S and molecular weight 537.1835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one
Also Known As: (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-5-methyl-2-phenyl-4-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one, (Z)-3-methyl-1-phenyl-4-((1-phenyl-3-(3-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)methylene)-1H-pyrazol-5(4H)-one
| Molecular Formula | C30H27N5O3S |
| Molecular Weight | 537.1835 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.1835 Da |
| Heavy Atoms | 39 |
| Complexity | 1050.0 |
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | JDGAEIHYIHHJAI-RRAHZORUSA-N |
The XLogP value of 4.7 indicates that (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one is 1009469-25-3.
The molecular formula of (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one is C30H27N5O3S.
The molecular weight of (4Z)-5-methyl-2-phenyl-4-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one is 537.1835 g/mol.
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