N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 1005614-98-1) is a chemical compound with molecular formula C17H21N5O4S and molecular weight 391.13144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide, N-[3-(AMINOCARBONYL)-6-(TERT-BUTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C17H21N5O4S |
| Molecular Weight | 391.13144 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13144 Da |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-] |
| InChIKey | TYVNUTQTQXSLEG-UHFFFAOYSA-N |
Chemical Property Profile of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 3.5 indicates that N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 1005614-98-1.
What is the molecular formula of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is C17H21N5O4S.
What is the molecular weight of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 391.13144 g/mol.
Where can I buy N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.