![1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile structure](/static/products/3182/318284-41-2.webp)
1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile
TL;DR: 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile (CAS 318284-41-2) is a chemical compound with molecular formula C14H12N6O and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-[(4-oxo-3H-phthalazin-1-yl)methylamino]pyrazole-4-carbonitrile
Also Known As: 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile, 5D-125, 1-methyl-5-[(4-oxo-3H-phthalazin-1-yl)methylamino]pyrazole-4-carbonitrile, 1-methyl-5-{[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]amino}-1H-pyrazole-4-carbonitrile, 1-methyl-5-{[(4-oxo-3H-phthalazin-1-yl)methyl]amino}pyrazole-4-carbonitrile
| Molecular Formula | C14H12N6O |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.14038 |
| Topological Polar Surface Area | 99.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.10727 |
| Heavy Atoms | 21 |
| Complexity | 901.7036 |
Chemical Identifiers
| CAS Number | 318284-41-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)C#N)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile (CAS 318284-41-2), with molecular formula C14H12N6O and molecular weight 280.11 g/mol. IUPAC: 1-methyl-5-[(4-oxo-3H-phthalazin-1-yl)methylamino]pyrazole-4-carbonitrile.
Chemical Property Profile of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile
Property Insights of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile
The XLogP value of 1.14038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile. The TPSA of 99.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile has 2 hydrogen bond donor(s) and 5 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 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile?
The CAS number of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile is 318284-41-2.
What is the molecular formula of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile is C14H12N6O.
What is the molecular weight of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile is 280.11 g/mol.
Where can I buy 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.