1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

C14H8F4N2S — CID 2812747

IUPAC1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C14H8F4N2S/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H
InChIKeyJYYDVMPKFPKDFQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.76
Rot. Bonds2

About 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 2812747) has the molecular formula C14H8F4N2S and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID2812747
Molecular FormulaC14H8F4N2S
Molecular Weight312.29 g/mol
Exact Mass312.03
IUPAC Name1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C14H8F4N2S/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H
InChIKeyJYYDVMPKFPKDFQ-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(5-Methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315630
4-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 2799866
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
4-[5-Thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727429
4-[5-Thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727534
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909
1-[(3-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651141
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
1-Phenyl-3-(2-thienyl)pyrazole
CID 12026713

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 2812747) is 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Fc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is JYYDVMPKFPKDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2S/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H.
What are the key properties of 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 312.29 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2812747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).