3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole

C13H15F3N2S — CID 21129868

IUPAC3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(C(C)(C)C)s2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-12(2,3)11-6-5-9(19-11)8-7-10(13(14,15)16)18(4)17-8/h5-7H,1-4H3
InChIKeyYRMKVMQGUSYMTG-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.46
Rot. Bonds1

About 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole

3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 21129868) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID21129868
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(C(C)(C)C)s2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-12(2,3)11-6-5-9(19-11)8-7-10(13(14,15)16)18(4)17-8/h5-7H,1-4H3
InChIKeyYRMKVMQGUSYMTG-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
4-Bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 2819997
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
CID 2775673
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
CID 2821035
6-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-1H-pyrimidine-2-thione
CID 2821284
(E)-2-methylsulfonyl-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile
CID 5715766
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 21129868) is 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(C(C)(C)C)s2)cc1C(F)(F)F.
What is the InChIKey of 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is YRMKVMQGUSYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-12(2,3)11-6-5-9(19-11)8-7-10(13(14,15)16)18(4)17-8/h5-7H,1-4H3.
What are the key properties of 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 288.34 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 21129868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).