TL;DR: (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide (CAS 1009439-30-8) is a chemical compound with molecular formula C29H31N5O4S and molecular weight 545.20966 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-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
Also Known As: (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-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-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
| Molecular Formula | C29H31N5O4S |
| Molecular Weight | 545.20966 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.20966 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)NCC4CCCO4)C5=CC=CC=C5 |
| InChIKey | PAYISELTNFRUBZ-QJOMJCCJSA-N |
The XLogP value of 3.6 indicates that (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide 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 (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide. Following Lipinski's Rule of Five, (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is 1009439-30-8.
The molecular formula of (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is C29H31N5O4S.
The molecular weight of (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is 545.20966 g/mol.
You can request a quote for (Z)-2-cyano-3-(1-phenyl-3-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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