3-Amino-1-methylpyrazole-4,5-dicarbonitrile
TL;DR: 3-Amino-1-methylpyrazole-4,5-dicarbonitrile (CAS 54385-48-7) is a chemical compound with molecular formula C6H5N5 and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-methylpyrazole-4,5-dicarbonitrile
Also Known As: 3-amino-1-methyl-1H-pyrazole-4,5-dicarbonitrile, 5-amino-2-methylpyrazole-3,4-dicarbonitrile, 5-amino-2-methyl-pyrazole-3,4-dicarbonitrile, J2.869.217J, 1-Methyl-3-amino-1H-pyrazole-4,5-dicarbonitrile
| Molecular Formula | C6H5N5 |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | -0.25434 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.05449 |
| Heavy Atoms | 11 |
| Complexity | 327.04996 |
Chemical Identifiers
| CAS Number | 54385-48-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)N)C#N)C#N |
Product Overview
3-Amino-1-methylpyrazole-4,5-dicarbonitrile (CAS 54385-48-7), with molecular formula C6H5N5 and molecular weight 147.05 g/mol. IUPAC: 3-amino-1-methylpyrazole-4,5-dicarbonitrile.
Chemical Property Profile of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile
Property Insights of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile
The XLogP value of -0.25434 indicates that 3-Amino-1-methylpyrazole-4,5-dicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-methylpyrazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-methylpyrazole-4,5-dicarbonitrile has 1 hydrogen bond donor(s) and 4 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 3-Amino-1-methylpyrazole-4,5-dicarbonitrile?
The CAS number of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile is 54385-48-7.
What is the molecular formula of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile?
The molecular formula of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile is C6H5N5.
What is the molecular weight of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile?
The molecular weight of 3-Amino-1-methylpyrazole-4,5-dicarbonitrile is 147.05 g/mol.
Where can I buy 3-Amino-1-methylpyrazole-4,5-dicarbonitrile?
You can request a quote for 3-Amino-1-methylpyrazole-4,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-methylpyrazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-methylpyrazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.