5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol
TL;DR: 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol (CAS 680615-98-9) is a chemical compound with molecular formula C7H5ClN2OS and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-chlorothiophen-2-yl)-1,2-dihydropyrazol-3-one
Also Known As: 3-(5-chloro-2-thienyl)pyrazol-5-ol, 3-(5-Chloro-2-thienyl)-1H-pyrazol-5-ol #, 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol, 3h-pyrazol-3-one, 5-(5-chloro-2-thienyl)-1,2-dihydro-, 5-(5-chlorothiophen-2-yl)-1,2-dihydropyrazol-3-one
| Molecular Formula | C7H5ClN2OS |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.98111 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 680615-98-9 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C2=CC(=O)NN2 |
| InChIKey | OTNXAPFHRGEQOX-UHFFFAOYSA-N |
Product Overview
5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol (CAS 680615-98-9), with molecular formula C7H5ClN2OS and molecular weight 199.98 g/mol. IUPAC: 5-(5-chlorothiophen-2-yl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol
Property Insights of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol. Following Lipinski's Rule of Five, 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol has 2 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 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol?
The CAS number of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol is 680615-98-9.
What is the molecular formula of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol?
The molecular formula of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol is C7H5ClN2OS.
What is the molecular weight of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol?
The molecular weight of 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol is 199.98 g/mol.
Where can I buy 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol?
You can request a quote for 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.