2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)
TL;DR: 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) (CAS 5775-97-3) is a chemical compound with molecular formula C11H13N5O7 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-3,4-dihydropyrazole;2,4,6-trinitrophenol
Also Known As: 2-Pyrazoline, 1,5-dimethyl-, picrate, 1,5-Dimethyl-delta(sup 2)-pyrazoline picrate, 2,3-dimethyl-3,4-dihydropyrazole,2,4,6-trinitrophenol, 2,3-dimethyl-3,4-dihydropyrazole; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)
| Molecular Formula | C11H13N5O7 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 1.813 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.0815 |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 5775-97-3 |
|---|---|
| SMILES | CC1CC=NN1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JPIDNGGMBRKNSM-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) (CAS 5775-97-3), with molecular formula C11H13N5O7 and molecular weight 327.08 g/mol. IUPAC: 2,3-dimethyl-3,4-dihydropyrazole;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)
Property Insights of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)
The XLogP value of 1.813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1). The TPSA of 173.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) has 1 hydrogen bond donor(s) and 9 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 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)?
The CAS number of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) is 5775-97-3.
What is the molecular formula of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)?
The molecular formula of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) is C11H13N5O7.
What is the molecular weight of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)?
The molecular weight of 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) is 327.08 g/mol.
Where can I buy 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)?
You can request a quote for 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol--1,5-dimethyl-4,5-dihydro-1H-pyrazole (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.