N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide
TL;DR: N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005650-72-5) is a chemical compound with molecular formula C16H21F2N3O and molecular weight 309.16528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide
Also Known As: N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide, N-(1-ADAMANTYLMETHYL)-1-(DIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, 1-(difluoromethyl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-1H-pyrazole-5-carboxamide
Technical Specifications
| Molecular Formula | C16H21F2N3O |
| Molecular Weight | 309.16528 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.16528 Da |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=NN4C(F)F |
| InChIKey | IHWHPHZKFRNPCQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide
Property Insights of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.6 indicates that N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 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-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide is 1005650-72-5.
What is the molecular formula of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide is C16H21F2N3O.
What is the molecular weight of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide is 309.16528 g/mol.
Where can I buy N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(1-adamantylmethyl)-2-(difluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.