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

C15H11F3N2S — CID 135065112

IUPAC5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1c(-c2cccs2)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C15H11F3N2S/c1-10-13(12-8-5-9-21-12)14(15(16,17)18)19-20(10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyMQBUDHIXYPPVJD-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.93
Rot. Bonds2

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

5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 135065112) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID135065112
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1c(-c2cccs2)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C15H11F3N2S/c1-10-13(12-8-5-9-21-12)14(15(16,17)18)19-20(10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyMQBUDHIXYPPVJD-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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Related Compounds

5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 59632565
4-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 2799866
Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
1-(4-(methylthio)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 44427625
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 50966220
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 135065112) is 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Cc1c(-c2cccs2)c(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is MQBUDHIXYPPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c1-10-13(12-8-5-9-21-12)14(15(16,17)18)19-20(10)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
5-methyl-1-phenyl-4-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 5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 135065112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).