1,3,5-trimethyl-1H-pyrazole-4-carbonitrile
TL;DR: 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile (CAS 108161-13-3) is a chemical compound with molecular formula C7H9N3 and molecular weight 135.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethylpyrazole-4-carbonitrile
Also Known As: 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile, 1,3,5-trimethylpyrazole-4-carbonitrile, trimethyl-1H-pyrazole-4-carbonitrile, ZERO/005838, 1H-Pyrazole-4-carbonitrile,1,3,5-trimethyl-(9CI)
| Molecular Formula | C7H9N3 |
|---|---|
| Molecular Weight | 135.08 g/mol |
| LogP | 0.90862 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.07965 |
| Heavy Atoms | 10 |
| Complexity | 290.53525 |
Chemical Identifiers
| CAS Number | 108161-13-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C#N |
Product Overview
1,3,5-trimethyl-1H-pyrazole-4-carbonitrile (CAS 108161-13-3), with molecular formula C7H9N3 and molecular weight 135.08 g/mol. IUPAC: 1,3,5-trimethylpyrazole-4-carbonitrile.
Chemical Property Profile of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile
Property Insights of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile
The XLogP value of 0.90862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile?
The CAS number of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile is 108161-13-3.
What is the molecular formula of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile is C7H9N3.
What is the molecular weight of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile is 135.08 g/mol.
Where can I buy 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-trimethyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.