![1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile structure](/static/products/1024/1024251-40-8.webp)
1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1024251-40-8) is a chemical compound with molecular formula C21H17BrN6O2 and molecular weight 464.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile
Also Known As: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile, 3-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile, 1-((4-BROMO-2-METHYL-5-OXO-1-PHENYL(3-PYRAZOLIN-3-YL))METHYL)-4-(4-METHOXYPHENYL)-1,2,3-TRIAZOLE-5-CARBONITRILE, 3-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile, C21H17BrN6O2
| Molecular Formula | C21H17BrN6O2 |
|---|---|
| Molecular Weight | 464.06 g/mol |
| LogP | 3.12558 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.05963 |
| Heavy Atoms | 30 |
| Complexity | 1296.508 |
Chemical Identifiers
| CAS Number | 1024251-40-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C(=C(N=N3)C4=CC=C(C=C4)OC)C#N |
Product Overview
1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1024251-40-8), with molecular formula C21H17BrN6O2 and molecular weight 464.06 g/mol. IUPAC: 3-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-5-(4-methoxyphenyl)triazole-4-carbonitrile.
Chemical Property Profile of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 3.12558 indicates that 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile has 0 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-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is 1024251-40-8.
What is the molecular formula of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is C21H17BrN6O2.
What is the molecular weight of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is 464.06 g/mol.
Where can I buy 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.