4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
TL;DR: 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol (CAS 1007186-17-5) is a chemical compound with molecular formula C18H16ClN3O3 and molecular weight 357.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol, AP-906/41650530, 4-[1-(2-chlorophenyl)-2-nitroethyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-[1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, F1310-0160
Technical Specifications
| Molecular Formula | C18H16ClN3O3 |
| Molecular Weight | 357.088 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.088 Da |
| Heavy Atoms | 25 |
| Complexity | 554.0 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3Cl |
| InChIKey | RQTAEIMBOHAYAZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
Property Insights of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 4.0 indicates that 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is 1007186-17-5.
What is the molecular formula of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is C18H16ClN3O3.
What is the molecular weight of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol is 357.088 g/mol.
Where can I buy 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol?
Yes, CoreyChem provides custom synthesis services for 4-(1-(2-chlorophenyl)-2-nitroethyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.