2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one
TL;DR: 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one (CAS 177613-72-8) is a chemical compound with molecular formula C13H14N4O and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one
Also Known As: 2-(1H-benzoimidazol-2-yl)-5-propyl-4H-pyrazol-3-one, 1-(1h-benzo[d]imidazol-2-yl)-3-propyl-1h-pyrazol-5(4h)-one
| Molecular Formula | C13H14N4O |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 2.4557 |
| Topological Polar Surface Area | 61.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.11676 |
| Heavy Atoms | 18 |
| Complexity | 595.7079 |
Chemical Identifiers
| CAS Number | 177613-72-8 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1)C2=NC3=CC=CC=C3N2 |
Product Overview
2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one (CAS 177613-72-8), with molecular formula C13H14N4O and molecular weight 242.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one
Property Insights of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one
The XLogP value of 2.4557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one. The TPSA of 61.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-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-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one?
The CAS number of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one is 177613-72-8.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one?
The molecular formula of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one is C13H14N4O.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one?
The molecular weight of 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one is 242.12 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one?
You can request a quote for 2-(1H-benzimidazol-2-yl)-5-propyl-4H-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 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-5-propyl-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.