n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide
TL;DR: n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide (CAS 1027618-07-0) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-N-prop-2-enyl-1H-pyrazole-5-carboxamide
Also Known As: n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide, 3-phenyl-N-prop-2-enyl-1H-pyrazole-5-carboxamide
Technical Specifications
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.10587 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.10587 Da |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
| SMILES | C=CCNC(=O)C1=CC(=NN1)C2=CC=CC=C2 |
| InChIKey | SCDKEIKBWYPWRO-UHFFFAOYSA-N |
Chemical Property Profile of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide
Property Insights of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 57.8 Ų, n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide has 2 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-5-phenyl-1h-pyrazole-3-carboxamide?
The CAS number of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide is 1027618-07-0.
What is the molecular formula of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide?
The molecular formula of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide is C13H13N3O.
What is the molecular weight of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide?
The molecular weight of n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide is 227.10587 g/mol.
Where can I buy n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide?
You can request a quote for n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for n-Allyl-5-phenyl-1h-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.