4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide
TL;DR: 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide (CAS 866133-89-3) is a chemical compound with molecular formula C12H14N4O and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide
Also Known As: 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide, benzylmethyloxodihydropyrazolecarboximidamide, 4-benzyl-3-methyl-5-oxo-2H-pyrazole-1-carboximidamide, 4-benzyl-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide, 3-methyl-5-oxo-4-benzyl-3-pyrazolinecarboxamidine
| Molecular Formula | C12H14N4O |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 0.81719 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.11676 |
| Heavy Atoms | 17 |
| Complexity | 594.7133 |
Chemical Identifiers
| CAS Number | 866133-89-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=N)N)CC2=CC=CC=C2 |
Product Overview
4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide (CAS 866133-89-3), with molecular formula C12H14N4O and molecular weight 230.12 g/mol. IUPAC: 4-benzyl-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide.
Chemical Property Profile of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide
Property Insights of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide
The XLogP value of 0.81719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide. Following Lipinski's Rule of Five, 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide has 3 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 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide?
The CAS number of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide is 866133-89-3.
What is the molecular formula of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide?
The molecular formula of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide is C12H14N4O.
What is the molecular weight of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide?
The molecular weight of 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide is 230.12 g/mol.
Where can I buy 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide?
You can request a quote for 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.