3-Methyl-5-oxo-2-pyrazolinecarboxamidine
TL;DR: 3-Methyl-5-oxo-2-pyrazolinecarboxamidine (CAS 27623-72-9) is a chemical compound with molecular formula C5H8N4O and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-4H-pyrazole-1-carboximidamide
Also Known As: 3-methyl-5-oxo-4H-pyrazole-1-carboximidamide, 3-methyl-5-oxo-2-pyrazolinecarboxamidine, 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide, 1H-PYRAZOLE-1-CARBOXIMIDAMIDE,4,5-DIHYDRO-3-METHYL-5-OXO-
| Molecular Formula | C5H8N4O |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.06981 |
| Heavy Atoms | 10 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 27623-72-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C(=N)N |
| InChIKey | CLKWKXLKGJNIEV-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-oxo-2-pyrazolinecarboxamidine (CAS 27623-72-9), with molecular formula C5H8N4O and molecular weight 140.07 g/mol. IUPAC: 3-methyl-5-oxo-4H-pyrazole-1-carboximidamide.
Chemical Property Profile of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine
Property Insights of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine
The XLogP value of -0.4 indicates that 3-Methyl-5-oxo-2-pyrazolinecarboxamidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-oxo-2-pyrazolinecarboxamidine. Following Lipinski's Rule of Five, 3-Methyl-5-oxo-2-pyrazolinecarboxamidine 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 3-Methyl-5-oxo-2-pyrazolinecarboxamidine?
The CAS number of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine is 27623-72-9.
What is the molecular formula of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine?
The molecular formula of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine is C5H8N4O.
What is the molecular weight of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine?
The molecular weight of 3-Methyl-5-oxo-2-pyrazolinecarboxamidine is 140.07 g/mol.
Where can I buy 3-Methyl-5-oxo-2-pyrazolinecarboxamidine?
You can request a quote for 3-Methyl-5-oxo-2-pyrazolinecarboxamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-oxo-2-pyrazolinecarboxamidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-oxo-2-pyrazolinecarboxamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.