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

C15H11F3N2S — CID 2812745

IUPAC1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2S/c1-10-4-6-11(7-5-10)20-12(13-3-2-8-21-13)9-14(19-20)15(16,17)18/h2-9H,1H3
InChIKeyMDSWOPANUGRFIM-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.93
Rot. Bonds2

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

1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 2812745) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID2812745
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2S/c1-10-4-6-11(7-5-10)20-12(13-3-2-8-21-13)9-14(19-20)15(16,17)18/h2-9H,1H3
InChIKeyMDSWOPANUGRFIM-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 2812745) is 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Cc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is MDSWOPANUGRFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c1-10-4-6-11(7-5-10)20-12(13-3-2-8-21-13)9-14(19-20)15(16,17)18/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 308.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2812745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).