2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole

C14H10F3N3S — CID 135063700

IUPAC2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Cn2ccc(-c3nccs3)n2)c1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)11-3-1-2-10(8-11)9-20-6-4-12(19-20)13-18-5-7-21-13/h1-8H,9H2
InChIKeyXZUBVTCKXSHMHD-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.07
Rot. Bonds3

About 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole

2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 135063700) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
PubChem CID135063700
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Cn2ccc(-c3nccs3)n2)c1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)11-3-1-2-10(8-11)9-20-6-4-12(19-20)13-18-5-7-21-13/h1-8H,9H2
InChIKeyXZUBVTCKXSHMHD-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
2-[3-Methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
CID 56918678
5-[1-(4-Fluorophenyl)sulfonyl-3-pyrazolyl]-2-phenylthiazole
CID 1476742
US9790203, Example 17
CID 76283385
5-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504778
2-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504779
N-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554686

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole (CID 135063700) is 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole is FC(F)(F)c1cccc(Cn2ccc(-c3nccs3)n2)c1.
What is the InChIKey of 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is XZUBVTCKXSHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)11-3-1-2-10(8-11)9-20-6-4-12(19-20)13-18-5-7-21-13/h1-8H,9H2.
What are the key properties of 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 309.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 135063700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).