N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H20F3N5OS — CID 43052197

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3nnc(C4CCCCC4)s3)c2C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5OS/c1-12-7-9-14(10-8-12)28-16(20(21,22)23)15(11-24-28)17(29)25-19-27-26-18(30-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,27,29)
InChIKeyBACWTWRPHCHPSX-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.35
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 43052197) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID43052197
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3nnc(C4CCCCC4)s3)c2C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5OS/c1-12-7-9-14(10-8-12)28-16(20(21,22)23)15(11-24-28)17(29)25-19-27-26-18(30-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,27,29)
InChIKeyBACWTWRPHCHPSX-UHFFFAOYSA-N
XLogP5.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-carbamoylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51285149
N-(2-fluoro-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55463902
N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55549504
1-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46456147
1-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112807733
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 43052197) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3nnc(C4CCCCC4)s3)c2C(F)(F)F)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BACWTWRPHCHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c1-12-7-9-14(10-8-12)28-16(20(21,22)23)15(11-24-28)17(29)25-19-27-26-18(30-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,27,29).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).