2-(1H-pyrazol-1-yl)acetonitrile
TL;DR: 2-(1H-pyrazol-1-yl)acetonitrile (CAS 946786-20-5) 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.
2-pyrazol-1-ylacetonitrile
Also Known As: 1H-pyrazol-1-ylacetonitrile, 2-(1H-pyrazol-1-yl)acetonitrile, 2-pyrazol-1-ylacetonitrile, null, 1H-Pyrazole-1-acetonitrile
Technical Specifications
| Molecular Formula | C5H5N3 |
| Molecular Weight | 107.04835 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.04835 Da |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
| SMILES | C1=CN(N=C1)CC#N |
| InChIKey | KQULXIRGBBDZKY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-pyrazol-1-yl)acetonitrile
Property Insights of 2-(1H-pyrazol-1-yl)acetonitrile
The XLogP value of -0.5 indicates that 2-(1H-pyrazol-1-yl)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(1H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrazol-1-yl)acetonitrile has 0 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 2-(1H-pyrazol-1-yl)acetonitrile?
The CAS number of 2-(1H-pyrazol-1-yl)acetonitrile is 946786-20-5.
What is the molecular formula of 2-(1H-pyrazol-1-yl)acetonitrile?
The molecular formula of 2-(1H-pyrazol-1-yl)acetonitrile is C5H5N3.
What is the molecular weight of 2-(1H-pyrazol-1-yl)acetonitrile?
The molecular weight of 2-(1H-pyrazol-1-yl)acetonitrile is 107.04835 g/mol.
Where can I buy 2-(1H-pyrazol-1-yl)acetonitrile?
You can request a quote for 2-(1H-pyrazol-1-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-pyrazol-1-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.