![1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE structure](/static/products/1005/1005632-07-4.webp)
1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE
TL;DR: 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE (CAS 1005632-07-4) is a chemical compound with molecular formula C22H18F6N6O and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
Also Known As: 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE, 1'-ethyl-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3'-methyl-5-(trifluoromethyl)-1H,1'H-3,4'-bipyrazole, 2-[1'-Ethyl-3'-methyl-5-(trifluoromethyl)[3,4'-bi-1H-pyrazol]-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine, 2-[1a(2)-Ethyl-3a(2)-methyl-5-(trifluoromethyl)[3,4a(2)-bi-1H-pyrazol]-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine, 2-[3-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C22H18F6N6O |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 5.56732 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.14462 |
| Heavy Atoms | 35 |
| Complexity | 1371.7512 |
Chemical Identifiers
| CAS Number | 1005632-07-4 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CC(=N3)C(F)(F)F)C4=CC(=CC=C4)OC |
Product Overview
1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE (CAS 1005632-07-4), with molecular formula C22H18F6N6O and molecular weight 496.14 g/mol. IUPAC: 2-[3-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE
Property Insights of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE
The XLogP value of 5.56732 indicates that 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE. Following Lipinski's Rule of Five, 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE?
The CAS number of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE is 1005632-07-4.
What is the molecular formula of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE?
The molecular formula of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE is C22H18F6N6O.
What is the molecular weight of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE?
The molecular weight of 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE is 496.14 g/mol.
Where can I buy 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE?
You can request a quote for 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE?
Yes, KEHONG BIO provides custom synthesis services for 1'-ETHYL-1-[4-(3-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-3'-METHYL-5-(TRIFLUOROMETHYL)-1H,1'H-3,4'-BIPYRAZOLE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.