methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate
TL;DR: methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate (CAS 22497-19-4) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5,5-trimethyl-4H-pyrazole-3-carboxylate
Also Known As: methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate, methyl 3,5,5-trimethyl-4H-pyrazole-3-carboxylate, 3H-Pyrazole-3-carboxylic acid, 4,5-dihydro-3,5,5-trimethyl-methyl ester, 3H-Pyrazole-3-carboxylic acid,4,5-dihydro-3,5,5-trimethyl-methyl ester, 3,5,5-Trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C8H14N2O2 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.10553 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 22497-19-4 |
|---|---|
| SMILES | CC1(CC(N=N1)(C)C(=O)OC)C |
| InChIKey | NJBGBPHPVVQQIO-UHFFFAOYSA-N |
Product Overview
methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate (CAS 22497-19-4), with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol. IUPAC: methyl 3,5,5-trimethyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate
Property Insights of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 51.0 Ų, methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate has 0 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 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate?
The CAS number of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate is 22497-19-4.
What is the molecular formula of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate?
The molecular formula of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate is C8H14N2O2.
What is the molecular weight of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate?
The molecular weight of methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate is 170.11 g/mol.
Where can I buy methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate?
You can request a quote for methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,5,5-trimethyl-4,5-dihydro-3H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.