TL;DR: Pyrazole, 3-(dimethylamino)-1-phenyl- (CAS 116861-51-9) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-1-phenylpyrazol-3-amine
Also Known As: Pyrazole, 3-(dimethylamino)-1-phenyl-, 3-(Dimethylamino)-1-phenylpyrazole, n,n-dimethyl-1-phenyl-1h-pyrazol-3-amine, N,N-dimethyl-1-phenylpyrazol-3-amine, 3-dimethylamino-1-phenylpyrazole
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.11095 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.11095 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | CN(C)C1=NN(C=C1)C2=CC=CC=C2 |
| InChIKey | HDOPYMWMJAOUQO-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 3-(dimethylamino)-1-phenyl-. With a topological polar surface area (TPSA) of 21.1 Ų, Pyrazole, 3-(dimethylamino)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 3-(dimethylamino)-1-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazole, 3-(dimethylamino)-1-phenyl- is 116861-51-9.
The molecular formula of Pyrazole, 3-(dimethylamino)-1-phenyl- is C11H13N3.
The molecular weight of Pyrazole, 3-(dimethylamino)-1-phenyl- is 187.11095 g/mol.
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