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

C16H14F3N5O2S — CID 90539798

IUPAC(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H14F3N5O2S/c17-16(18,19)15-23-22-13(26-15)9-3-5-24(6-4-9)14(25)11-8-10(20-21-11)12-2-1-7-27-12/h1-2,7-9H,3-6H2,(H,20,21)
InChIKeyKCFRAMJUZKSSHY-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.56
Rot. Bonds3

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

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539798) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539798
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H14F3N5O2S/c17-16(18,19)15-23-22-13(26-15)9-3-5-24(6-4-9)14(25)11-8-10(20-21-11)12-2-1-7-27-12/h1-2,7-9H,3-6H2,(H,20,21)
InChIKeyKCFRAMJUZKSSHY-UHFFFAOYSA-N
XLogP3.56
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539798) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KCFRAMJUZKSSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c17-16(18,19)15-23-22-13(26-15)9-3-5-24(6-4-9)14(25)11-8-10(20-21-11)12-2-1-7-27-12/h1-2,7-9H,3-6H2,(H,20,21).
What are the key properties of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 397.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).