3-methyl-1H-pyrazole-4-carbonitrile
TL;DR: 3-methyl-1H-pyrazole-4-carbonitrile (CAS 131662-41-4) is a chemical compound with molecular formula C5H5N3 and molecular weight 107.04835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1H-pyrazole-4-carbonitrile
Also Known As: 3-methyl-1H-pyrazole-4-carbonitrile, 5-methyl-1H-pyrazole-4-carbonitrile, 3-Methyl-4-cyanopyrazole, 1H-Pyrazole-4-carbonitrile, 3-methyl-, 3-methylpyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C5H5N3 |
| Molecular Weight | 107.04835 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.04835 Da |
| Heavy Atoms | 8 |
| Complexity | 123.0 |
| SMILES | CC1=C(C=NN1)C#N |
| InChIKey | SBHYNBAKHDSUKT-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-1H-pyrazole-4-carbonitrile
Property Insights of 3-methyl-1H-pyrazole-4-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 3-methyl-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1H-pyrazole-4-carbonitrile 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 3-methyl-1H-pyrazole-4-carbonitrile?
The CAS number of 3-methyl-1H-pyrazole-4-carbonitrile is 131662-41-4.
What is the molecular formula of 3-methyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-methyl-1H-pyrazole-4-carbonitrile is C5H5N3.
What is the molecular weight of 3-methyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-methyl-1H-pyrazole-4-carbonitrile is 107.04835 g/mol.
Where can I buy 3-methyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-methyl-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-methyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.