![5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide structure](/static/products/494/494745-88-9.png)
5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
TL;DR: 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CAS 494745-88-9) is a chemical compound with molecular formula C20H19ClN8O and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-chlorophenyl)-7-methyl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene][1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide, 5-(4-chlorophenyl)-7-methyl-N'-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene][1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide, 5-(4-CHLOROPHENYL)-7-METHYL-N'-[(E)-1-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLIDENE][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOHYDRAZIDE
| Molecular Formula | C20H19ClN8O |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 2.86736 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.13702 |
| Heavy Atoms | 30 |
| Complexity | 1286.6254 |
Chemical Identifiers
| CAS Number | 494745-88-9 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)C(=O)N/N=C/C3=C(N(N=C3C)C)C)C4=CC=C(C=C4)Cl |
Product Overview
5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CAS 494745-88-9), with molecular formula C20H19ClN8O and molecular weight 422.14 g/mol. IUPAC: 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Property Insights of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
The XLogP value of 2.86736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The CAS number of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is 494745-88-9.
What is the molecular formula of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular formula of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is C20H19ClN8O.
What is the molecular weight of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular weight of 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is 422.14 g/mol.
Where can I buy 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
You can request a quote for 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-7-methyl-N-[(E)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.