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

C22H18F3N5O2S — CID 121069109

IUPAC(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C22H18F3N5O2S/c23-22(24,25)15-7-5-13(6-8-15)19-28-29-20(32-19)14-3-1-9-30(12-14)21(31)17-11-16(26-27-17)18-4-2-10-33-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,26,27)
InChIKeyIQRQMRCYCMKNKR-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.23
Rot. Bonds4

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

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069109) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID121069109
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C22H18F3N5O2S/c23-22(24,25)15-7-5-13(6-8-15)19-28-29-20(32-19)14-3-1-9-30(12-14)21(31)17-11-16(26-27-17)18-4-2-10-33-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,26,27)
InChIKeyIQRQMRCYCMKNKR-UHFFFAOYSA-N
XLogP5.23
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792992
[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl][3-(2-thienyl)-5-pyrazolyl]methanone
CID 97426954
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120169
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120175
(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 45540855
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55740530
5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55741039
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 56017180
(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 56766044
[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70783078
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90539798
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(3-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90540055

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069109) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.
What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is IQRQMRCYCMKNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c23-22(24,25)15-7-5-13(6-8-15)19-28-29-20(32-19)14-3-1-9-30(12-14)21(31)17-11-16(26-27-17)18-4-2-10-33-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,26,27).
What are the key properties of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 473.48 g/mol, XLogP of 5.23, 4 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)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).