2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one
TL;DR: 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one (CAS 6946-72-1) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-1,5-dimethylpyrazol-3-one
Also Known As: 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one, 2-(4-aminophenyl)-1,5-dimethylpyrazol-3-one, J1.742.767I, 2-(4-aminophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one, 2-(4-Aminophenyl)-1,5-dimethyl-pyrazol-3-one
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 6946-72-1 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=C(C=C2)N |
| InChIKey | QDLDREBTKRYEQB-UHFFFAOYSA-N |
Product Overview
2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one (CAS 6946-72-1), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 2-(4-aminophenyl)-1,5-dimethylpyrazol-3-one.
Chemical Property Profile of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one
Property Insights of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one
The XLogP value of -0.3 indicates that 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.6 Ų, 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one 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 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one?
The CAS number of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one is 6946-72-1.
What is the molecular formula of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one?
The molecular formula of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one is C11H13N3O.
What is the molecular weight of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one?
The molecular weight of 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one is 203.11 g/mol.
Where can I buy 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one?
You can request a quote for 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.