3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one
TL;DR: 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one (CAS 64921-87-5) 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.
3,3-dimethyl-1-pyrazol-1-ylbutan-2-one
Also Known As: 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one, 3,3-dimethyl-1-pyrazolylbutan-2-one, 3,3-dimethyl-1-pyrazol-1-ylbutan-2-one, 3,3-Dimethyl-1-pyrazol-1-yl-butan-2-one, 2-Butanone, 3,3-dimethyl-1-(1H-pyrazol-1-yl)-
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | 1.4983 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 256.55594 |
Chemical Identifiers
| CAS Number | 64921-87-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C=CC=N1 |
Product Overview
3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one (CAS 64921-87-5), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 3,3-dimethyl-1-pyrazol-1-ylbutan-2-one.
Chemical Property Profile of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one
Property Insights of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one
The XLogP value of 1.4983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one. With a topological polar surface area (TPSA) of 34.89 Ų, 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one has 0 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 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one?
The CAS number of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one is 64921-87-5.
What is the molecular formula of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one?
The molecular formula of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one is C9H14N2O.
What is the molecular weight of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one?
The molecular weight of 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one is 166.11 g/mol.
Where can I buy 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one?
You can request a quote for 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-(1H-pyrazol-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.