5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide

C18H17F3N4OS — CID 67089205

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccncc1
InChIInChI=1S/C18H17F3N4OS/c1-3-12(11-6-8-22-9-7-11)23-17(26)15-5-4-14(27-15)13-10-16(18(19,20)21)25(2)24-13/h4-10,12H,3H2,1-2H3,(H,23,26)
InChIKeyZUIJWXMZWUQMGE-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.44
Rot. Bonds5

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 67089205) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID67089205
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccncc1
InChIInChI=1S/C18H17F3N4OS/c1-3-12(11-6-8-22-9-7-11)23-17(26)15-5-4-14(27-15)13-10-16(18(19,20)21)25(2)24-13/h4-10,12H,3H2,1-2H3,(H,23,26)
InChIKeyZUIJWXMZWUQMGE-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide (CID 67089205) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide is CCC(NC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccncc1.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is ZUIJWXMZWUQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-3-12(11-6-8-22-9-7-11)23-17(26)15-5-4-14(27-15)13-10-16(18(19,20)21)25(2)24-13/h4-10,12H,3H2,1-2H3,(H,23,26).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 67089205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).