methyl 3-tert-butyl-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-tert-butyl-1H-pyrazole-5-carboxylate (CAS 152307-84-1) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-tert-butyl-1H-pyrazole-3-carboxylate
Also Known As: methyl 3-tert-butyl-1H-pyrazole-5-carboxylate, methyl 5-tert-butyl-1H-pyrazole-3-carboxylate, ACN-P001028, Methyl 5-(tert-butyl)-1H-pyrazole-3-carboxylate, methyl 3-tert-butyl-5-pyrazolecarboxylate
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.4938 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 309.65976 |
Chemical Identifiers
| CAS Number | 152307-84-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C(=O)OC |
Product Overview
methyl 3-tert-butyl-1H-pyrazole-5-carboxylate (CAS 152307-84-1), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: methyl 5-tert-butyl-1H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate
The XLogP value of 1.4938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-tert-butyl-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 3-tert-butyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-tert-butyl-1H-pyrazole-5-carboxylate has 1 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 methyl 3-tert-butyl-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate is 152307-84-1.
What is the molecular formula of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate is C9H14N2O2.
What is the molecular weight of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-tert-butyl-1H-pyrazole-5-carboxylate is 182.11 g/mol.
Where can I buy methyl 3-tert-butyl-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-tert-butyl-1H-pyrazole-5-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-tert-butyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-tert-butyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.