Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate
TL;DR: Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate (CAS 76923-35-8) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylate
Also Known As: Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate, methyl 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylate, methyl 5-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylate, F2198-3209, methyl 5-methyl-3-(2-thienyl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.23322 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 473.58365 |
Chemical Identifiers
| CAS Number | 76923-35-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C2=CC=CS2)C(=O)OC |
Product Overview
Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate (CAS 76923-35-8), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: methyl 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylate.
Chemical Property Profile of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate
Property Insights of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate
The XLogP value of 2.23322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate 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 Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate?
The CAS number of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate is 76923-35-8.
What is the molecular formula of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate?
The molecular formula of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate is C10H10N2O2S.
What is the molecular weight of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate?
The molecular weight of Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate is 222.05 g/mol.
Where can I buy Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate?
You can request a quote for Methyl 3-Methyl-5-(Thiophen-2-Yl)-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 Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Methyl-5-(Thiophen-2-Yl)-1H-Pyrazole-4-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.