1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole
TL;DR: 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole (CAS 384820-81-9) is a chemical compound with molecular formula C10H8N6O2 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzotriazole
Also Known As: 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzotriazole, 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole, Benzotriazole, 1-(3-methyl-4-nitro-5-pyrazolyl)-, 1-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-benzotriazole, 1-(3-Methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,3-benzotriazole #
| Molecular Formula | C10H8N6O2 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.07088 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 384820-81-9 |
|---|---|
| SMILES | CC1=C(C(=NN1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] |
| InChIKey | ZWGCOGRBPKTKCC-UHFFFAOYSA-N |
Product Overview
1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole (CAS 384820-81-9), with molecular formula C10H8N6O2 and molecular weight 244.07 g/mol. IUPAC: 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzotriazole.
Chemical Property Profile of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole
Property Insights of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole has 1 hydrogen bond donor(s) and 5 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 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole?
The CAS number of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole is 384820-81-9.
What is the molecular formula of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole?
The molecular formula of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole is C10H8N6O2.
What is the molecular weight of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole?
The molecular weight of 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole is 244.07 g/mol.
Where can I buy 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole?
You can request a quote for 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-nitro-3-methyl-1H-pyrazol-5-yl}-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.