1,3-Dimethylpyrazole-4-carbaldehyde oxime
TL;DR: 1,3-Dimethylpyrazole-4-carbaldehyde oxime (CAS 380583-07-3) is a chemical compound with molecular formula C6H9N3O and molecular weight 139.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-dimethylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: 1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime, 1,3-dimethylpyrazole-4-carbaldehyde oxime, N-[(1,3-dimethylpyrazol-4-yl)methylidene]hydroxylamine, 1H-Pyrazole-4-carboxaldehyde, 1,3-dimethyl-, oxime (9CI), (Z)-N-[(1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]HYDROXYLAMINE
| Molecular Formula | C6H9N3O |
|---|---|
| Molecular Weight | 139.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.07455 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 380583-07-3 |
|---|---|
| SMILES | CC1=NN(C=C1C=NO)C |
| InChIKey | CPZUWXGVBWUBHZ-UHFFFAOYSA-N |
Product Overview
1,3-Dimethylpyrazole-4-carbaldehyde oxime (CAS 380583-07-3), with molecular formula C6H9N3O and molecular weight 139.07 g/mol. IUPAC: N-[(1,3-dimethylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of 1,3-Dimethylpyrazole-4-carbaldehyde oxime
Property Insights of 1,3-Dimethylpyrazole-4-carbaldehyde oxime
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylpyrazole-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 50.4 Ų, 1,3-Dimethylpyrazole-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylpyrazole-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 1,3-Dimethylpyrazole-4-carbaldehyde oxime?
The CAS number of 1,3-Dimethylpyrazole-4-carbaldehyde oxime is 380583-07-3.
What is the molecular formula of 1,3-Dimethylpyrazole-4-carbaldehyde oxime?
The molecular formula of 1,3-Dimethylpyrazole-4-carbaldehyde oxime is C6H9N3O.
What is the molecular weight of 1,3-Dimethylpyrazole-4-carbaldehyde oxime?
The molecular weight of 1,3-Dimethylpyrazole-4-carbaldehyde oxime is 139.07 g/mol.
Where can I buy 1,3-Dimethylpyrazole-4-carbaldehyde oxime?
You can request a quote for 1,3-Dimethylpyrazole-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 1,3-Dimethylpyrazole-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylpyrazole-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.