5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

C16H13F3N4O2S — CID 55743995

IUPAC5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)9-25-14-6-10(3-4-20-14)8-21-15(24)12-7-11(22-23-12)13-2-1-5-26-13/h1-7H,8-9H2,(H,21,24)(H,22,23)
InChIKeyWCQCFXGGVCWQKG-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.40
Rot. Bonds6

About 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55743995) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID55743995
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)9-25-14-6-10(3-4-20-14)8-21-15(24)12-7-11(22-23-12)13-2-1-5-26-13/h1-7H,8-9H2,(H,21,24)(H,22,23)
InChIKeyWCQCFXGGVCWQKG-UHFFFAOYSA-N
XLogP3.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (CID 55743995) is 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WCQCFXGGVCWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)9-25-14-6-10(3-4-20-14)8-21-15(24)12-7-11(22-23-12)13-2-1-5-26-13/h1-7H,8-9H2,(H,21,24)(H,22,23).
What are the key properties of 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55743995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).