1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C19H20F3N5O2S — CID 98065509

IUPAC1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N5O2S/c1-27-15(19(20,21)22)8-14(26-27)16(28)23-9-11-2-4-12(5-3-11)17-24-25-18(29-17)13-6-7-30-10-13/h6-8,10-12H,2-5,9H2,1H3,(H,23,28)
InChIKeyWZVOXYYWIOQAHN-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.25
Rot. Bonds5

About 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 98065509) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID98065509
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC Name1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N5O2S/c1-27-15(19(20,21)22)8-14(26-27)16(28)23-9-11-2-4-12(5-3-11)17-24-25-18(29-17)13-6-7-30-10-13/h6-8,10-12H,2-5,9H2,1H3,(H,23,28)
InChIKeyWZVOXYYWIOQAHN-UHFFFAOYSA-N
XLogP4.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 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-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]propanamide
CID 98065499
[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 92558985
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
N-[(4-methoxyphenyl)methyl]-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 71793024
N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 166260812
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116730
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 121116733
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116704
1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 92569534

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 98065509) is 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCC2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is WZVOXYYWIOQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/c1-27-15(19(20,21)22)8-14(26-27)16(28)23-9-11-2-4-12(5-3-11)17-24-25-18(29-17)13-6-7-30-10-13/h6-8,10-12H,2-5,9H2,1H3,(H,23,28).
What are the key properties of 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 98065509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).