3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one
TL;DR: 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one (CAS 385381-91-9) is a chemical compound with molecular formula C7H6N2OS and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-1,4-dihydropyrazol-5-one
Also Known As: 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one, 5-(2-thienyl)-2,4-dihydro-3H-pyrazol-3-one, 3-thiophen-2-yl-1,4-dihydropyrazol-5-one, 3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-one, 5-Thiophen-2-yl-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C7H6N2OS |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 0.9721 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02008 |
| Heavy Atoms | 11 |
| Complexity | 302.2503 |
Chemical Identifiers
| CAS Number | 385381-91-9 |
|---|---|
| SMILES | C1C(=NNC1=O)C2=CC=CS2 |
Product Overview
3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one (CAS 385381-91-9), with molecular formula C7H6N2OS and molecular weight 166.02 g/mol. IUPAC: 3-thiophen-2-yl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one
Property Insights of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one
The XLogP value of 0.9721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one. With a topological polar surface area (TPSA) of 41.46 Ų, 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one 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 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one?
The CAS number of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one is 385381-91-9.
What is the molecular formula of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one?
The molecular formula of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one is C7H6N2OS.
What is the molecular weight of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one?
The molecular weight of 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one is 166.02 g/mol.
Where can I buy 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one?
You can request a quote for 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Thiophen-2-yl)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.