methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate

C15H16F3N3O3S — CID 19563586

IUPACmethyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H16F3N3O3S/c1-8-6-11(15(16,17)18)20-21(8)5-4-12(22)19-13-10(14(23)24-3)7-9(2)25-13/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyYFUOVHCPBGNWRQ-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.40
Rot. Bonds5

About methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate

methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate (PubChem CID 19563586) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate
PubChem CID19563586
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC Namemethyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H16F3N3O3S/c1-8-6-11(15(16,17)18)20-21(8)5-4-12(22)19-13-10(14(23)24-3)7-9(2)25-13/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyYFUOVHCPBGNWRQ-UHFFFAOYSA-N
XLogP3.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate (CID 19563586) is methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate?
The InChIKey is YFUOVHCPBGNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-8-6-11(15(16,17)18)20-21(8)5-4-12(22)19-13-10(14(23)24-3)7-9(2)25-13/h6-7H,4-5H2,1-3H3,(H,19,22).
What are the key properties of methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate?
methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate has a molecular weight of 375.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 19563586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).