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N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
TL;DR: N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CAS 1005580-25-5) is a chemical compound with molecular formula C20H21N3O2 and molecular weight 335.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
Also Known As: N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide, N-benzyl-1-[(2,4-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide, {1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-yl}-N-benzylcarboxamide
Technical Specifications
| Molecular Formula | C20H21N3O2 |
| Molecular Weight | 335.1634 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1634 Da |
| Heavy Atoms | 25 |
| Complexity | 425.0 |
| SMILES | CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NCC3=CC=CC=C3)C |
| InChIKey | FRFKQLJSOSKKJL-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
Property Insights of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
The XLogP value of 3.8 indicates that N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 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-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The CAS number of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is 1005580-25-5.
What is the molecular formula of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The molecular formula of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is C20H21N3O2.
What is the molecular weight of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The molecular weight of N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is 335.1634 g/mol.
Where can I buy N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
You can request a quote for N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.