(4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime
TL;DR: (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime (CAS 23890-08-6) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime, (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime, 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime, N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 23890-08-6 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=NO |
| InChIKey | RCSJQQFWHWWMMN-UHFFFAOYSA-N |
Product Overview
(4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime (CAS 23890-08-6), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime
Property Insights of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 50.4 Ų, (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-3,5-dimethyl-1-phenyl-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 (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime?
The CAS number of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime is 23890-08-6.
What is the molecular formula of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime?
The molecular formula of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime is C12H13N3O.
What is the molecular weight of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime?
The molecular weight of (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime is 215.11 g/mol.
Where can I buy (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime?
You can request a quote for (4Z)-3,5-dimethyl-1-phenyl-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 (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.