![N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide structure](/static/products/1005/1005587-24-5.webp)
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005587-24-5) is a chemical compound with molecular formula C16H17F3N4O2S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Also Known As: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide, N-[3-(AMINOCARBONYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL]-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C16H17F3N4O2S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 3.1205 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.10242 |
| Heavy Atoms | 26 |
| Complexity | 869.7072 |
Chemical Identifiers
| CAS Number | 1005587-24-5 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)C(F)(F)F |
Product Overview
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005587-24-5), with molecular formula C16H17F3N4O2S and molecular weight 386.10 g/mol. IUPAC: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.1205 indicates that N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has 2 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-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005587-24-5.
What is the molecular formula of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is C16H17F3N4O2S.
What is the molecular weight of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 386.10 g/mol.
Where can I buy N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.