1-methyl-1H-pyrazole-4-carboxylate
TL;DR: 1-methyl-1H-pyrazole-4-carboxylate (CAS 51105-90-9) is a chemical compound with molecular formula C5H5N2O2- and molecular weight 125.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyrazole-4-carboxylate
Also Known As: 1-methyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C5H5N2O2- |
|---|---|
| Molecular Weight | 125.04 g/mol |
| LogP | -1.2164 |
| Topological Polar Surface Area | 57.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.0351 |
| Heavy Atoms | 9 |
| Complexity | 228.61679 |
Chemical Identifiers
| CAS Number | 51105-90-9 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)[O-] |
Product Overview
1-methyl-1H-pyrazole-4-carboxylate (CAS 51105-90-9), with molecular formula C5H5N2O2- and molecular weight 125.04 g/mol. IUPAC: 1-methylpyrazole-4-carboxylate.
Chemical Property Profile of 1-methyl-1H-pyrazole-4-carboxylate
Property Insights of 1-methyl-1H-pyrazole-4-carboxylate
The XLogP value of -1.2164 indicates that 1-methyl-1H-pyrazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.95 Ų, 1-methyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 3 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-methyl-1H-pyrazole-4-carboxylate?
The CAS number of 1-methyl-1H-pyrazole-4-carboxylate is 51105-90-9.
What is the molecular formula of 1-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of 1-methyl-1H-pyrazole-4-carboxylate is C5H5N2O2-.
What is the molecular weight of 1-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of 1-methyl-1H-pyrazole-4-carboxylate is 125.04 g/mol.
Where can I buy 1-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for 1-methyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.