N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 1005699-26-2) is a chemical compound with molecular formula C13H13N5O4S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide, 2-[(4-nitropyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-c arboxamide, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide, N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-2H-pyrazole-3-carboxamide, N-[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C13H13N5O4S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 1.6094 |
| Topological Polar Surface Area | 144.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.06882 |
| Heavy Atoms | 23 |
| Complexity | 809.392 |
Chemical Identifiers
| CAS Number | 1005699-26-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])C(=O)N |
Product Overview
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 1005699-26-2), with molecular formula C13H13N5O4S and molecular weight 335.07 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.6094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 144.01 Ų indicates high polarity, suggesting N-(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-(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
Frequently Asked Questions
What is the CAS number of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 1005699-26-2.
What is the molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is C13H13N5O4S.
What is the molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 335.07 g/mol.
Where can I buy N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(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.