2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-
TL;DR: 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- (CAS 2361-34-4) is a chemical compound with molecular formula C7H9N3O and molecular weight 151.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile
Also Known As: 3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PROPANENITRILE, 2-Cyanoethyl-3-methylpyrazolone-5, 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-, 3-Methyl-5-oxo-2-pyrazoline-1-propionitrile, 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile
| Molecular Formula | C7H9N3O |
|---|---|
| Molecular Weight | 151.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.07455 |
| Heavy Atoms | 11 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 2361-34-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)CCC#N |
| InChIKey | KSTPDBWPPXYJBA-UHFFFAOYSA-N |
Product Overview
2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- (CAS 2361-34-4), with molecular formula C7H9N3O and molecular weight 151.07 g/mol. IUPAC: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile.
Chemical Property Profile of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-
Property Insights of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-
The XLogP value of -0.6 indicates that 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.5 Ų, 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- has 0 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-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-?
The CAS number of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- is 2361-34-4.
What is the molecular formula of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-?
The molecular formula of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- is C7H9N3O.
What is the molecular weight of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-?
The molecular weight of 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- is 151.07 g/mol.
Where can I buy 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-?
You can request a quote for 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazoline-1-propionitrile, 3-methyl-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.