TL;DR: N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CAS 1095912-39-2) is a chemical compound with molecular formula C25H17ClN4O4 and molecular weight 472.09384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
Also Known As: N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide, (5Z)-N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C25H17ClN4O4 |
| Molecular Weight | 472.09384 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.09384 Da |
| Heavy Atoms | 34 |
| Complexity | 734.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)Cl)O |
| InChIKey | PWBCWKZCUNGAER-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is 1095912-39-2.
The molecular formula of N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is C25H17ClN4O4.
The molecular weight of N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is 472.09384 g/mol.
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