ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

C11H13F3N2S — CID 144808181

IUPACethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C9H7F3N2S.C2H6/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12;1-2/h2-5H,1H3;1-2H3
InChIKeyNBNXLTJFYJNMHA-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.19
Rot. Bonds1

About ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole

ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 144808181) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID144808181
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Nameethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C9H7F3N2S.C2H6/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12;1-2/h2-5H,1H3;1-2H3
InChIKeyNBNXLTJFYJNMHA-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 144808181) is ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is CC.Cn1nc(C(F)(F)F)cc1-c1cccs1.
What is the InChIKey of ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is NBNXLTJFYJNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S.C2H6/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 262.30 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 144808181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).