5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C25H33F5N4O2 — CID 153296707

IUPAC5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)CC2)nn(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H33F5N4O2/c1-14-6-8-16(9-7-14)12-32-22(35)20-15(2)21(34(5)33-20)18-13-31-17(10-19(18)36-23(26)27)11-24(3,4)25(28,29)30/h10,13-14,16,23H,6-9,11-12H2,1-5H3,(H,32,35)
InChIKeyLWRMSAMLTFZISM-UHFFFAOYSA-N
MW516.56 g/mol
LogP6.08
Rot. Bonds8

About 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296707) has the molecular formula C25H33F5N4O2 and a molecular weight of 516.56 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296707
Molecular FormulaC25H33F5N4O2
Molecular Weight516.56 g/mol
Exact Mass516.25
IUPAC Name5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)CC2)nn(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H33F5N4O2/c1-14-6-8-16(9-7-14)12-32-22(35)20-15(2)21(34(5)33-20)18-13-31-17(10-19(18)36-23(26)27)11-24(3,4)25(28,29)30/h10,13-14,16,23H,6-9,11-12H2,1-5H3,(H,32,35)
InChIKeyLWRMSAMLTFZISM-UHFFFAOYSA-N
XLogP6.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]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

4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
US11180484, Example 6
CID 139301871
N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146641578
US11034658, Example 46
CID 153296684
US11034658, Example 9
CID 153296722
US11034658, Example 49
CID 153296756
US11034658, Example 45
CID 153296821
2-[2-(4-Methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]-N-[(pyridin-3-YL)methyl]acetamide
CID 20953704
2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]-N-[(pyridin-3-YL)methyl]acetamide
CID 22513128

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296707) is 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is Cc1c(C(=O)NCC2CCC(C)CC2)nn(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is LWRMSAMLTFZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F5N4O2/c1-14-6-8-16(9-7-14)12-32-22(35)20-15(2)21(34(5)33-20)18-13-31-17(10-19(18)36-23(26)27)11-24(3,4)25(28,29)30/h10,13-14,16,23H,6-9,11-12H2,1-5H3,(H,32,35).
What are the key properties of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 516.56 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1,4-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).