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

C9H7F3N2S — CID 20685171

IUPAC3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C9H7F3N2S/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyNNUBMFHPWFQMLH-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.47
Rot. Bonds1

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

3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 20685171) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID20685171
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C9H7F3N2S/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyNNUBMFHPWFQMLH-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-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 20685171) is 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NNUBMFHPWFQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 20685171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).