(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol
TL;DR: (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol (CAS 139664-31-6) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethyl-4-nitropyrazol-1-yl)methanol
Also Known As: (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanol, (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol, (3,5-dimethyl-4-nitropyrazol-1-yl)methanol, (3,5-dimethyl-4-nitropyrazolyl)methan-1-ol
Technical Specifications
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.06439 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.06439 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC1=C(C(=NN1CO)C)[N+](=O)[O-] |
| InChIKey | FNQSANZKSFZCNK-UHFFFAOYSA-N |
Chemical Property Profile of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol
Property Insights of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol. Following Lipinski's Rule of Five, (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol 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 (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol?
The CAS number of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol is 139664-31-6.
What is the molecular formula of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol?
The molecular formula of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol is C6H9N3O3.
What is the molecular weight of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol?
The molecular weight of (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol is 171.06439 g/mol.
Where can I buy (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol?
You can request a quote for (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol?
Yes, CoreyChem provides custom synthesis services for (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.