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

C17H16F3N5O2S — CID 71793064

IUPAC(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C17H16F3N5O2S/c1-24-12(8-11(23-24)13-5-3-7-28-13)15(26)25-6-2-4-10(9-25)14-21-22-16(27-14)17(18,19)20/h3,5,7-8,10H,2,4,6,9H2,1H3
InChIKeyBGYFWJKEYYSESR-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.57
Rot. Bonds3

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

(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71793064) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71793064
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C17H16F3N5O2S/c1-24-12(8-11(23-24)13-5-3-7-28-13)15(26)25-6-2-4-10(9-25)14-21-22-16(27-14)17(18,19)20/h3,5,7-8,10H,2,4,6,9H2,1H3
InChIKeyBGYFWJKEYYSESR-UHFFFAOYSA-N
XLogP3.57
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 71793064) is (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is BGYFWJKEYYSESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-24-12(8-11(23-24)13-5-3-7-28-13)15(26)25-6-2-4-10(9-25)14-21-22-16(27-14)17(18,19)20/h3,5,7-8,10H,2,4,6,9H2,1H3.
What are the key properties of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 411.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71793064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).