3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
TL;DR: 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 21487-48-9) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylpyrazole-4-carbaldehyde
Also Known As: 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, null, 3-methyl-1-phenylpyrazole-4-carbaldehyde, 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, 1-phenyl-3-methyl-1H-4-pyrazolylformaldehyde
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.99322 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 445.566 |
Chemical Identifiers
| CAS Number | 21487-48-9 |
|---|---|
| SMILES | CC1=NN(C=C1C=O)C2=CC=CC=C2 |
Product Overview
3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 21487-48-9), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 3-methyl-1-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Property Insights of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.99322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 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-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde is 21487-48-9.
What is the molecular formula of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde is C11H10N2O.
What is the molecular weight of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde is 186.08 g/mol.
Where can I buy 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.