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

C10H11F3N2S — CID 158485557

IUPACmethane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESC.Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C9H7F3N2S.CH4/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12;/h2-4H,1H3,(H,13,14);1H4
InChIKeyHIBAUCLMMUFAOY-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.10
Rot. Bonds1

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

methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 158485557) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Namemethane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID158485557
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Namemethane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESC.Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C9H7F3N2S.CH4/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12;/h2-4H,1H3,(H,13,14);1H4
InChIKeyHIBAUCLMMUFAOY-UHFFFAOYSA-N
XLogP4.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 158485557) is methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is C.Cc1ccc(-c2cc(C(F)(F)F)[nH]n2)s1.
What is the InChIKey of methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HIBAUCLMMUFAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S.CH4/c1-5-2-3-7(15-5)6-4-8(14-13-6)9(10,11)12;/h2-4H,1H3,(H,13,14);1H4.
What are the key properties of methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 248.27 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 158485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).