TL;DR: (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one (CAS 1005603-32-6) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.11682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one
Also Known As: (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one, 1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]-2-furyl]prop-2-en-1-one, (2E)-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one, (E)-1-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-3-{5-[(4-NITROPHENOXY)METHYL]-2-FURYL}-2-PROPEN-1-ONE
| Molecular Formula | C19H17N3O5 |
| Molecular Weight | 367.11682 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.11682 Da |
| Heavy Atoms | 27 |
| Complexity | 556.0 |
| SMILES | CC1=C(C=NN1C)C(=O)/C=C/C2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ICKBIPFMZUBGDC-MDZDMXLPSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one has 0 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 (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one is 1005603-32-6.
The molecular formula of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one is C19H17N3O5.
The molecular weight of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one is 367.11682 g/mol.
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