3-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile - CAS 1020058-98-3
Catalog: |
BB048885 |
Product Name: |
3-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile |
CAS: |
1020058-98-3 |
Synonyms: |
3-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thiopheno[2,3-b]pyridine-2-carbonitrile; Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)- |
IUPAC Name: | 3-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile |
Description: | 3-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (CAS# 1020058-98-3 ) is a useful research chemical. |
Molecular Weight: | 337.32 |
Molecular Formula: | C14H10F3N5S |
Canonical SMILES: | CC1=C(C=NN1C)C2=CC(=NC3=C2C(=C(S3)C#N)N)C(F)(F)F |
InChI: | InChI=1S/C14H10F3N5S/c1-6-8(5-20-22(6)2)7-3-10(14(15,16)17)21-13-11(7)12(19)9(4-18)23-13/h3,5H,19H2,1-2H3 |
InChI Key: | NVAZIIAWDGUKOW-UHFFFAOYSA-N |
Boiling Point: | 521.6±50.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 506 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.060901 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.060901 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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