methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
TL;DR: methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate (CAS 1005649-06-8) is a chemical compound with molecular formula C12H12N4O5S and molecular weight 324.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate, Methyl 4,5-dimethyl-2-[(4-nitro2H-pyrazole-3-carbonyl)amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}thiophene-3-carboxylate, METHYL 4,5-DIMETHYL-2-{[(4-NITRO-1H-PYRAZOL-3-YL)CARBONYL]AMINO}-3-THIOPHENECARBOXYLATE
Technical Specifications
| Molecular Formula | C12H12N4O5S |
| Molecular Weight | 324.05283 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.05283 Da |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C |
| InChIKey | FAQOGHGAJKSRRA-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
Property Insights of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate. The TPSA of 158.0 Ų indicates high polarity, suggesting methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate?
The CAS number of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate is 1005649-06-8.
What is the molecular formula of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate?
The molecular formula of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate is C12H12N4O5S.
What is the molecular weight of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate?
The molecular weight of methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate is 324.05283 g/mol.
Where can I buy methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate?
You can request a quote for methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 4,5-dimethyl-2-(4-nitro-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.