![5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile structure](/static/products/1027/1027754-56-8.webp)
5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile
TL;DR: 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile (CAS 1027754-56-8) is a chemical compound with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile
Also Known As: ZERO/004806, 3-((2-Hydroxy-3-methoxybenzyl)amino)-1H-pyrazole-4-carbonitrile, 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile, 5-[(2-hydroxy-3-methoxybenzyl)amino]-1{H}-pyrazole-4-carbonitrile, 5-[(2-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile
| Molecular Formula | C12H12N4O2 |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 1.60768 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.09602 |
| Heavy Atoms | 18 |
| Complexity | 586.0036 |
Chemical Identifiers
| CAS Number | 1027754-56-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)CNC2=C(C=NN2)C#N |
Product Overview
5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile (CAS 1027754-56-8), with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol. IUPAC: 5-[(2-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile
Property Insights of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile
The XLogP value of 1.60768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile has 3 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 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile?
The CAS number of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile is 1027754-56-8.
What is the molecular formula of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile is C12H12N4O2.
What is the molecular weight of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile is 244.10 g/mol.
Where can I buy 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-[(2-hydroxy-3-methoxybenzyl)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 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-hydroxy-3-methoxybenzyl)amino]-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.