TL;DR: 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one (CAS 1022461-36-4) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-1-(cyclopropanecarbonyl)indeno[2,1-d]pyrazol-4-one
Also Known As: 3-(TERT-BUTYL)-1-(CYCLOPROPYLCARBONYL)INDENO[2,3-D]PYRAZOL-4-ONE, 3-tert-butyl-1-(cyclopropanecarbonyl)indeno[1,2-c]pyrazol-4-one, 3-tert-butyl-1-cyclopropanecarbonyl-1H,4H-indeno[1,2-c]pyrazol-4-one, 3-TERT-BUTYL-1-CYCLOPROPANECARBONYLINDENO[1,2-C]PYRAZOL-4-ONE
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.13684 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.13684 Da |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
| SMILES | CC(C)(C)C1=NN(C2=C1C(=O)C3=CC=CC=C32)C(=O)C4CC4 |
| InChIKey | NBXAAHABQKBJJQ-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one is 1022461-36-4.
The molecular formula of 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one is C18H18N2O2.
The molecular weight of 3-(Tert-butyl)-1-(cyclopropylcarbonyl)indeno[2,3-D]pyrazol-4-one is 294.13684 g/mol.
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