[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol

C16H14F3N3OS — CID 130203171

IUPAC[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol
SMILESCCc1cc(CO)c(-c2cccc(-n3nccc3C(F)(F)F)n2)s1
InChIInChI=1S/C16H14F3N3OS/c1-2-11-8-10(9-23)15(24-11)12-4-3-5-14(21-12)22-13(6-7-20-22)16(17,18)19/h3-8,23H,2,9H2,1H3
InChIKeyYTACGFDBAWMLOC-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.07
Rot. Bonds4

About [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol

[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol (PubChem CID 130203171) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol
PubChem CID130203171
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol
SMILESCCc1cc(CO)c(-c2cccc(-n3nccc3C(F)(F)F)n2)s1
InChIInChI=1S/C16H14F3N3OS/c1-2-11-8-10(9-23)15(24-11)12-4-3-5-14(21-12)22-13(6-7-20-22)16(17,18)19/h3-8,23H,2,9H2,1H3
InChIKeyYTACGFDBAWMLOC-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol?
The IUPAC name of [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol (CID 130203171) is [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol.
What is the SMILES notation for [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol?
The canonical SMILES for [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol is CCc1cc(CO)c(-c2cccc(-n3nccc3C(F)(F)F)n2)s1.
What is the InChIKey of [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol?
The InChIKey is YTACGFDBAWMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-2-11-8-10(9-23)15(24-11)12-4-3-5-14(21-12)22-13(6-7-20-22)16(17,18)19/h3-8,23H,2,9H2,1H3.
What are the key properties of [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol?
[5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol has a molecular weight of 353.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-[6-[5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]thiophen-3-yl]methanol is sourced from PubChem (CID 130203171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).