3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole

C9H7F3N2S — CID 67760007

IUPAC3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1sccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H7F3N2S/c1-5-6(2-3-15-5)7-4-8(14-13-7)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyZAEHMTXRTOKNAR-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.47
Rot. Bonds1

About 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole

3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 67760007) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID67760007
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1sccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H7F3N2S/c1-5-6(2-3-15-5)7-4-8(14-13-7)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyZAEHMTXRTOKNAR-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 67760007) is 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole is Cc1sccc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ZAEHMTXRTOKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-5-6(2-3-15-5)7-4-8(14-13-7)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 67760007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).