1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde
TL;DR: 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde (CAS 864068-96-2) 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.
1-methyl-3-phenylpyrazole-5-carbaldehyde
Also Known As: 1-methyl-3-phenyl-1H-pyrazole-5-carbaldehyde, 2-methyl-5-phenylpyrazole-3-carbaldehyde, 1-methyl-3-phenylpyrazole-5-carbaldehyde, 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde, 5-Formyl-1-methyl-3-phenyl-1H-pyrazole
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.8996 |
| 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 | 864068-96-2 |
|---|---|
| SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)C=O |
Product Overview
1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde (CAS 864068-96-2), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 1-methyl-3-phenylpyrazole-5-carbaldehyde.
Chemical Property Profile of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde
Property Insights of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde
The XLogP value of 1.8996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde 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 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde?
The CAS number of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde is 864068-96-2.
What is the molecular formula of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde?
The molecular formula of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde is C11H10N2O.
What is the molecular weight of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde?
The molecular weight of 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde is 186.08 g/mol.
Where can I buy 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde?
You can request a quote for 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.