1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol
TL;DR: 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol (CAS 400065-46-5) is a chemical compound with molecular formula C12H13FN2O and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one
Also Known As: 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol, 2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one, 1-(4-fluorophenyl)-3-propylpyrazol-5-ol, 1H-pyrazol-5-ol, 1-(4-fluorophenyl)-3-propyl-, 2-(4-fluorophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C12H13FN2O |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.1012 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 400065-46-5 |
|---|---|
| SMILES | CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)F |
| InChIKey | NKXPCFSFMKVOFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol (CAS 400065-46-5), with molecular formula C12H13FN2O and molecular weight 220.10 g/mol. IUPAC: 2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol
Property Insights of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol 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 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol?
The CAS number of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol is 400065-46-5.
What is the molecular formula of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol?
The molecular formula of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol is C12H13FN2O.
What is the molecular weight of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol?
The molecular weight of 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol is 220.10 g/mol.
Where can I buy 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol?
You can request a quote for 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.