(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C19H17F3N4O2S — CID 71798705

IUPAC(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)12-3-4-17(23-11-12)28-13-5-7-26(8-6-13)18(27)15-10-14(24-25-15)16-2-1-9-29-16/h1-4,9-11,13H,5-8H2,(H,24,25)
InChIKeyMMOBIUFQKKNSSG-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.24
Rot. Bonds4

About (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798705) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798705
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)12-3-4-17(23-11-12)28-13-5-7-26(8-6-13)18(27)15-10-14(24-25-15)16-2-1-9-29-16/h1-4,9-11,13H,5-8H2,(H,24,25)
InChIKeyMMOBIUFQKKNSSG-UHFFFAOYSA-N
XLogP4.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798705) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is MMOBIUFQKKNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)12-3-4-17(23-11-12)28-13-5-7-26(8-6-13)18(27)15-10-14(24-25-15)16-2-1-9-29-16/h1-4,9-11,13H,5-8H2,(H,24,25).
What are the key properties of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 422.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).