5-(4-Ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine - CAS 676459-69-1
Catalog: |
BB046487 |
Product Name: |
5-(4-Ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine |
CAS: |
676459-69-1 |
Synonyms: |
5-(4-Ethyl-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine |
IUPAC Name: | 5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine |
Description: | 5-(4-Ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CAS# 676459-69-1 ) is a useful research chemical. |
Molecular Weight: | 295.3 |
Molecular Formula: | C15H16F3N3 |
Canonical SMILES: | CCC1=CC=C(C=C1)C2CC(N3C(=CC=N3)N2)C(F)(F)F |
InChI: | InChI=1S/C15H16F3N3/c1-2-10-3-5-11(6-4-10)12-9-13(15(16,17)18)21-14(20-12)7-8-19-21/h3-8,12-13,20H,2,9H2,1H3 |
InChI Key: | UXEFLYXCSNLFOU-UHFFFAOYSA-N |
Boiling Point: | 414.1±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.12963201 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.12963201 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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