4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C17H15F4N3S — CID 1498306

IUPAC4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCC(C)Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C17H15F4N3S/c1-10(2)7-13-8-15(17(19,20)21)24(23-13)16-22-14(9-25-16)11-3-5-12(18)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyUDPIWLBTZLGOQZ-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.35
Rot. Bonds4

About 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 1498306) has the molecular formula C17H15F4N3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID1498306
Molecular FormulaC17H15F4N3S
Molecular Weight369.39 g/mol
Exact Mass369.09
IUPAC Name4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCC(C)Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C17H15F4N3S/c1-10(2)7-13-8-15(17(19,20)21)24(23-13)16-22-14(9-25-16)11-3-5-12(18)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyUDPIWLBTZLGOQZ-UHFFFAOYSA-N
XLogP5.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 1498306) is 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is CC(C)Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is UDPIWLBTZLGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3S/c1-10(2)7-13-8-15(17(19,20)21)24(23-13)16-22-14(9-25-16)11-3-5-12(18)6-4-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 369.39 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 1498306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).