TL;DR: (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide (CAS 1009770-08-4) is a chemical compound with molecular formula C28H29N5O4S and molecular weight 531.19403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
Also Known As: (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide, (Z)-2-cyano-3-(1-phenyl-3-(3-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide, (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
| Molecular Formula | C28H29N5O4S |
| Molecular Weight | 531.19403 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.19403 Da |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)NCC4CCCO4)C5=CC=CC=C5 |
| InChIKey | HRCRNFLLZYIRMD-JWGURIENSA-N |
The XLogP value of 3.2 indicates that (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide is 1009770-08-4.
The molecular formula of (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide is C28H29N5O4S.
The molecular weight of (2Z)-2-cyano-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide is 531.19403 g/mol.
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