5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one (CAS 727675-81-2) is a chemical compound with molecular formula C8H15N3O and molecular weight 169.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-pentan-3-yl-1H-pyrazol-5-one
Also Known As: 5-amino-1-(pentan-3-yl)-1H-pyrazol-3-ol, 3-amino-2-pentan-3-yl-1H-pyrazol-5-one, 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one, 3-amino-2-(ethylpropyl)-3-pyrazolin-5-one, A3769/0159916
| Molecular Formula | C8H15N3O |
|---|---|
| Molecular Weight | 169.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.1215 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 727675-81-2 |
|---|---|
| SMILES | CCC(CC)N1C(=CC(=O)N1)N |
| InChIKey | YMZXVHJZLSIXEF-UHFFFAOYSA-N |
Product Overview
5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one (CAS 727675-81-2), with molecular formula C8H15N3O and molecular weight 169.12 g/mol. IUPAC: 3-amino-2-pentan-3-yl-1H-pyrazol-5-one.
Chemical Property Profile of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.4 Ų, 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one has 2 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 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one is 727675-81-2.
What is the molecular formula of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one is C8H15N3O.
What is the molecular weight of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one is 169.12 g/mol.
Where can I buy 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(pentan-3-yl)-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.