1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
TL;DR: 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone (CAS 1002408-73-2) is a chemical compound with molecular formula C16H14ClN5O and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
Also Known As: 1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone, 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone, 1-(1-{6-[(4-chlorophenyl)amino]pyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
| Molecular Formula | C16H14ClN5O |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.57032 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.08868 |
| Heavy Atoms | 23 |
| Complexity | 857.1621 |
Chemical Identifiers
| CAS Number | 1002408-73-2 |
|---|---|
| SMILES | CC1=C(C=NN1C2=NC=NC(=C2)NC3=CC=C(C=C3)Cl)C(=O)C |
Product Overview
1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone (CAS 1002408-73-2), with molecular formula C16H14ClN5O and molecular weight 327.09 g/mol. IUPAC: 1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.
Chemical Property Profile of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
Property Insights of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
The XLogP value of 3.57032 indicates that 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone. Following Lipinski's Rule of Five, 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone has 1 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-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The CAS number of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 1002408-73-2.
What is the molecular formula of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The molecular formula of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is C16H14ClN5O.
What is the molecular weight of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The molecular weight of 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 327.09 g/mol.
Where can I buy 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
You can request a quote for 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(6-((4-chlorophenyl)amino)pyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.