5-Phenyl-1H-pyrazole-3-carbaldehyde
TL;DR: 5-Phenyl-1H-pyrazole-3-carbaldehyde (CAS 57204-65-6) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1H-pyrazole-5-carbaldehyde
Also Known As: 5-Phenyl-1H-pyrazole-3-carbaldehyde, 3-phenyl-1H-pyrazole-5-carbaldehyde, 3-phenylpyrazole-5-carbaldehyde, 1H-Pyrazole-3-carboxaldehyde, 5-phenyl-, (3-Phenyl-1H-pyrazol-5-yl)methal
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 57204-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C=O |
| InChIKey | AWABRMSZZMDOEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-1H-pyrazole-3-carbaldehyde (CAS 57204-65-6), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 3-phenyl-1H-pyrazole-5-carbaldehyde.
Chemical Property Profile of 5-Phenyl-1H-pyrazole-3-carbaldehyde
Property Insights of 5-Phenyl-1H-pyrazole-3-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1H-pyrazole-3-carbaldehyde. With a topological polar surface area (TPSA) of 45.8 Ų, 5-Phenyl-1H-pyrazole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1H-pyrazole-3-carbaldehyde has 1 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 5-Phenyl-1H-pyrazole-3-carbaldehyde?
The CAS number of 5-Phenyl-1H-pyrazole-3-carbaldehyde is 57204-65-6.
What is the molecular formula of 5-Phenyl-1H-pyrazole-3-carbaldehyde?
The molecular formula of 5-Phenyl-1H-pyrazole-3-carbaldehyde is C10H8N2O.
What is the molecular weight of 5-Phenyl-1H-pyrazole-3-carbaldehyde?
The molecular weight of 5-Phenyl-1H-pyrazole-3-carbaldehyde is 172.06 g/mol.
Where can I buy 5-Phenyl-1H-pyrazole-3-carbaldehyde?
You can request a quote for 5-Phenyl-1H-pyrazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1H-pyrazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1H-pyrazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.