N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 78208-66-9) is a chemical compound with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,1-trimethyl-4-nitropyrazole-5-carboxamide
Also Known As: N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide, N,N,2-trimethyl-4-nitropyrazole-3-carboxamide
| Molecular Formula | C7H10N4O3 |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.07529 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 78208-66-9 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N(C)C |
| InChIKey | ATBCUZLHPUHKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 78208-66-9), with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol. IUPAC: N,N,1-trimethyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of -0.1 indicates that N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide has 0 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 N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is 78208-66-9.
What is the molecular formula of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is C7H10N4O3.
What is the molecular weight of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is 198.08 g/mol.
Where can I buy N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.