3-propyl-1H-pyrazole
TL;DR: 3-propyl-1H-pyrazole (CAS 7231-31-4) is a chemical compound with molecular formula C6H10N2 and molecular weight 110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propyl-1H-pyrazole
Also Known As: 3-propyl-1H-pyrazole, 5-propyl-1H-pyrazole, 3-Propylpyrazole, propylpyrazole, Pyrazole, 3-propyl-
| Molecular Formula | C6H10N2 |
|---|---|
| Molecular Weight | 110.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.0844 |
| Heavy Atoms | 8 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 7231-31-4 |
|---|---|
| SMILES | CCCC1=CC=NN1 |
| InChIKey | QBNRQCHCKIIYGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-propyl-1H-pyrazole (CAS 7231-31-4), with molecular formula C6H10N2 and molecular weight 110.08 g/mol. IUPAC: 5-propyl-1H-pyrazole.
Chemical Property Profile of 3-propyl-1H-pyrazole
Property Insights of 3-propyl-1H-pyrazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-propyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-propyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-propyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 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-propyl-1H-pyrazole?
The CAS number of 3-propyl-1H-pyrazole is 7231-31-4.
What is the molecular formula of 3-propyl-1H-pyrazole?
The molecular formula of 3-propyl-1H-pyrazole is C6H10N2.
What is the molecular weight of 3-propyl-1H-pyrazole?
The molecular weight of 3-propyl-1H-pyrazole is 110.08 g/mol.
Where can I buy 3-propyl-1H-pyrazole?
You can request a quote for 3-propyl-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-propyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-propyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.