methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate

C11H9F3N2O2S — CID 122604105

IUPACmethyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N2O2S/c1-16-4-3-7(15-16)6-5-8(10(17)18-2)19-9(6)11(12,13)14/h3-5H,1-2H3
InChIKeyOYSUYNUIJPGINT-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.95
Rot. Bonds2

About methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate

methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 122604105) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID122604105
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Namemethyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N2O2S/c1-16-4-3-7(15-16)6-5-8(10(17)18-2)19-9(6)11(12,13)14/h3-5H,1-2H3
InChIKeyOYSUYNUIJPGINT-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate (CID 122604105) is methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)s1.
What is the InChIKey of methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is OYSUYNUIJPGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-16-4-3-7(15-16)6-5-8(10(17)18-2)19-9(6)11(12,13)14/h3-5H,1-2H3.
What are the key properties of methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate?
methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 290.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 122604105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).