TL;DR: N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide (CAS 1095764-72-9) is a chemical compound with molecular formula C25H24N4O4S and molecular weight 476.15182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
Also Known As: N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide, (5Z)-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, N-(3-((furan-2-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide, N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C25H24N4O4S |
| Molecular Weight | 476.15182 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.15182 Da |
| Heavy Atoms | 34 |
| Complexity | 742.0 |
| SMILES | CC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CO5 |
| InChIKey | JSCVOJCWZRNRRV-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is 1095764-72-9.
The molecular formula of N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is C25H24N4O4S.
The molecular weight of N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is 476.15182 g/mol.
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