3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
TL;DR: 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole (CAS 7598-94-9) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
Also Known As: 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 7598-94-9 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(C1)C2=CC=CC=C2 |
| InChIKey | CPGCPBFJIQPTAD-UHFFFAOYSA-N |
Product Overview
3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole (CAS 7598-94-9), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole.
Chemical Property Profile of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
Property Insights of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
The XLogP value of 3.1 indicates that 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The CAS number of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole is 7598-94-9.
What is the molecular formula of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole is C13H18N2.
What is the molecular weight of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole is 202.15 g/mol.
Where can I buy 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.