1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
TL;DR: 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol (CAS 300804-69-7) is a chemical compound with molecular formula C9H14N2O and molecular weight 166.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
Also Known As: 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 300804-69-7 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CC(C=C)O |
| InChIKey | NVRICLQLNDQMPJ-UHFFFAOYSA-N |
Product Overview
1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol (CAS 300804-69-7), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol.
Chemical Property Profile of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
Property Insights of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol. With a topological polar surface area (TPSA) of 48.9 Ų, 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol has 2 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 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol?
The CAS number of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol is 300804-69-7.
What is the molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol?
The molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol is C9H14N2O.
What is the molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol?
The molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol is 166.11 g/mol.
Where can I buy 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol?
You can request a quote for 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.