5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone
TL;DR: 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone (CAS 27006-87-7) is a chemical compound with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]aniline
Also Known As: 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone, N-[(E)-(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]aniline, 5-chloro-1,3-dimethyl-4-[(2-phenylhydrazin-1-ylidene)methyl]pyrazole
| Molecular Formula | C12H13ClN4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.82792 |
| Topological Polar Surface Area | 42.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.08287 |
| Heavy Atoms | 17 |
| Complexity | 530.9387 |
Chemical Identifiers
| CAS Number | 27006-87-7 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=N/NC2=CC=CC=C2)Cl)C |
Product Overview
5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone (CAS 27006-87-7), with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol. IUPAC: N-[(E)-(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]aniline.
Chemical Property Profile of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone
Property Insights of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone
The XLogP value of 2.82792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone. With a topological polar surface area (TPSA) of 42.21 Ų, 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone 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 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone?
The CAS number of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone is 27006-87-7.
What is the molecular formula of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone?
The molecular formula of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone is C12H13ClN4.
What is the molecular weight of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone?
The molecular weight of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone is 248.08 g/mol.
Where can I buy 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone?
You can request a quote for 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde 4-phenylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.