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

C13H9F4N3S — CID 54354814

IUPAC5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(C2N=NCC2c2cnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H9F4N3S/c14-8-3-1-7(2-4-8)11-9(5-19-20-11)10-6-18-12(21-10)13(15,16)17/h1-4,6,9,11H,5H2
InChIKeyUIJOTVVGFDHUPQ-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.59
Rot. Bonds2

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

5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 54354814) has the molecular formula C13H9F4N3S and a molecular weight of 315.30 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID54354814
Molecular FormulaC13H9F4N3S
Molecular Weight315.30 g/mol
Exact Mass315.05
IUPAC Name5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(C2N=NCC2c2cnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H9F4N3S/c14-8-3-1-7(2-4-8)11-9(5-19-20-11)10-6-18-12(21-10)13(15,16)17/h1-4,6,9,11H,5H2
InChIKeyUIJOTVVGFDHUPQ-UHFFFAOYSA-N
XLogP4.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole (CID 54354814) is 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole is Fc1ccc(C2N=NCC2c2cnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UIJOTVVGFDHUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3S/c14-8-3-1-7(2-4-8)11-9(5-19-20-11)10-6-18-12(21-10)13(15,16)17/h1-4,6,9,11H,5H2.
What are the key properties of 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 315.30 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 54354814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).