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

C17H16F3N5O2S — CID 97104480

IUPAC(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H](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/t10-/m0/s1
InChIKeyBGYFWJKEYYSESR-JTQLQIEISA-N
MW411.41 g/mol
LogP3.57
Rot. Bonds3

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

(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97104480) 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)-[(3S)-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)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID97104480
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H](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/t10-/m0/s1
InChIKeyBGYFWJKEYYSESR-JTQLQIEISA-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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Related Compounds

(3S*,4R*)-N,N-dimethyl-1-{[1-methyl-5-(2-thienyl)-1H-pyrazol-3-yl]carbonyl}-4-propyl-3-pyrrolidinamine
CID 70714899
(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71787160
(3-(5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 71793100
(1-methyl-3-phenyl-1H-pyrazol-5-yl)(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)methanone
CID 45587985
1-methyl-3-phenyl-N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 76147259
(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
CID 42762136
(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71787059
(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)(3-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71793064
1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
CID 58955782
1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxylic acid
CID 123846944
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 4995010
Ethyl 1-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42761847

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-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)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 97104480) is (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-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)-[(3S)-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)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is BGYFWJKEYYSESR-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[(3S)-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)-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97104480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).