N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005601-97-7) is a chemical compound with molecular formula C8H10IN3O and molecular weight 290.98685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-1-methyl-N-prop-2-enylpyrazole-5-carboxamide
Also Known As: N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide, 4-iodo-2-methyl-N-prop-2-enyl-pyrazole-3-carboxamide, 4-iodo-2-methyl-N-prop-2-enylpyrazole-3-carboxamide, (4-iodo-1-methylpyrazol-5-yl)-N-prop-2-enylcarboxamide, 4-iodo-1-methyl-N-(prop-2-en-1-yl)-1H-pyrazole-5-carboxamide
Technical Specifications
| Molecular Formula | C8H10IN3O |
| Molecular Weight | 290.98685 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.98685 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CN1C(=C(C=N1)I)C(=O)NCC=C |
| InChIKey | YFGQYDCJMJBGMC-UHFFFAOYSA-N |
Chemical Property Profile of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 2 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-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is 1005601-97-7.
What is the molecular formula of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is C8H10IN3O.
What is the molecular weight of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is 290.98685 g/mol.
Where can I buy N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-allyl-4-iodo-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.