(4-chloro-3-nitro-1H-pyrazol-1-yl)methanol
TL;DR: (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol (CAS 957023-24-4) is a chemical compound with molecular formula C4H4ClN3O3 and molecular weight 176.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitropyrazol-1-yl)methanol
Also Known As: (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol, (4-chloro-3-nitropyrazol-1-yl)methanol, (4-Chloro-3-nitro-pyrazol-1-yl)-methanol, (4-chloro-3-nitropyrazolyl)methan-1-ol, (4-chloro-3-nitro-pyrazol-1-yl)methanol
| Molecular Formula | C4H4ClN3O3 |
|---|---|
| Molecular Weight | 176.99 g/mol |
| LogP | 0.3945 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.99413 |
| Heavy Atoms | 11 |
| Complexity | 284.10968 |
Chemical Identifiers
| CAS Number | 957023-24-4 |
|---|---|
| SMILES | C1=C(C(=NN1CO)[N+](=O)[O-])Cl |
Product Overview
(4-chloro-3-nitro-1H-pyrazol-1-yl)methanol (CAS 957023-24-4), with molecular formula C4H4ClN3O3 and molecular weight 176.99 g/mol. IUPAC: (4-chloro-3-nitropyrazol-1-yl)methanol.
Chemical Property Profile of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol
Property Insights of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol
The XLogP value of 0.3945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol. Following Lipinski's Rule of Five, (4-chloro-3-nitro-1H-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
Frequently Asked Questions
What is the CAS number of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol?
The CAS number of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol is 957023-24-4.
What is the molecular formula of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol?
The molecular formula of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol is C4H4ClN3O3.
What is the molecular weight of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol?
The molecular weight of (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol is 176.99 g/mol.
Where can I buy (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol?
You can request a quote for (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4-chloro-3-nitro-1H-pyrazol-1-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.