TL;DR: 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile (CAS 153150-84-6) is a chemical compound with molecular formula C15H10N6 and molecular weight 274.09668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile
Also Known As: Tyrphostin AG 1112, 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile, 3-amino-5-[(1Z)-1-cyano-2-(1H-indol-3-yl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H10N6 |
| Molecular Weight | 274.09668 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.09668 Da |
| Heavy Atoms | 21 |
| Complexity | 523.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C3=C(C(=NN3)N)C#N |
| InChIKey | OJMXHLJIMZMFGX-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile is 153150-84-6.
The molecular formula of 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile is C15H10N6.
The molecular weight of 3-Amino-5-[1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile is 274.09668 g/mol.
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