1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
TL;DR: 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone (CAS 30707-77-8) is a chemical compound with molecular formula C13H16N4O and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one
Also Known As: 1- -3- -5-pyrazolone, 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-, 1-(4-Aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone, 2-Pyrazolin-5-one, 1-(p-aminophenyl)-3-(1-pyrrolidinyl)-, 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
| Molecular Formula | C13H16N4O |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.13242 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 30707-77-8 |
|---|---|
| SMILES | C1CCN(C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)N |
| InChIKey | JRZNCVVXDWABEX-UHFFFAOYSA-N |
Product Overview
1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone (CAS 30707-77-8), with molecular formula C13H16N4O and molecular weight 244.13 g/mol. IUPAC: 2-(4-aminophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one.
Chemical Property Profile of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
Property Insights of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone. Following Lipinski's Rule of Five, 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone 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 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone?
The CAS number of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone is 30707-77-8.
What is the molecular formula of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone?
The molecular formula of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone is C13H16N4O.
What is the molecular weight of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone?
The molecular weight of 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone is 244.13 g/mol.
Where can I buy 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone?
You can request a quote for 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.