(E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
TL;DR: (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime (CAS 1415313-77-7) is a chemical compound with molecular formula C7H11N3O and molecular weight 153.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3,5-trimethylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime, (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime, N-[(1,3,5-trimethylpyrazol-4-yl)methylidene]hydroxylamine, (E)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]hydroxylamine, (E)-N-Hydroxy-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanimine
| Molecular Formula | C7H11N3O |
|---|---|
| Molecular Weight | 153.09 g/mol |
| LogP | 0.84504 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.09021 |
| Heavy Atoms | 11 |
| Complexity | 288.12094 |
Chemical Identifiers
| CAS Number | 1415313-77-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C=NO |
Product Overview
(E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime (CAS 1415313-77-7), with molecular formula C7H11N3O and molecular weight 153.09 g/mol. IUPAC: N-[(1,3,5-trimethylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
Property Insights of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
The XLogP value of 0.84504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 50.41 Ų, (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime 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 (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime?
The CAS number of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime is 1415313-77-7.
What is the molecular formula of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime?
The molecular formula of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime is C7H11N3O.
What is the molecular weight of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime?
The molecular weight of (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime is 153.09 g/mol.
Where can I buy (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime?
You can request a quote for (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.