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

C26H35F5N4O2 — CID 153296756

IUPAC5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
InChIInChI=1S/C26H35F5N4O2/c1-6-35-21(16(3)20(34-35)22(36)32-14-17-9-7-15(2)8-10-17)19-12-11-18(33-23(19)37-24(27)28)13-25(4,5)26(29,30)31/h11-12,15,17,24H,6-10,13-14H2,1-5H3,(H,32,36)
InChIKeyPFRPPOLUIGMKKQ-UHFFFAOYSA-N
MW530.58 g/mol
LogP6.56
Rot. Bonds9

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

5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296756) has the molecular formula C26H35F5N4O2 and a molecular weight of 530.58 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296756
Molecular FormulaC26H35F5N4O2
Molecular Weight530.58 g/mol
Exact Mass530.27
IUPAC Name5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
InChIInChI=1S/C26H35F5N4O2/c1-6-35-21(16(3)20(34-35)22(36)32-14-17-9-7-15(2)8-10-17)19-12-11-18(33-23(19)37-24(27)28)13-25(4,5)26(29,30)31/h11-12,15,17,24H,6-10,13-14H2,1-5H3,(H,32,36)
InChIKeyPFRPPOLUIGMKKQ-UHFFFAOYSA-N
XLogP6.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 129226287
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 129226290
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyrazole-3-carboxamide
CID 129226774
US11034658, Example 46
CID 153296684
US11034658, Example 9
CID 153296722
US11034658, Example 45
CID 153296821
2,6-Difluoro-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}benzamide
CID 91892675
US11034658, Example 11
CID 147174053
US11034658, Example 43
CID 153296681
US11034658, Example 35
CID 153296682
US11034658, Example 34
CID 153296686
US11034658, Example 60
CID 153296690

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296756) is 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F.
What is the InChIKey of 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is PFRPPOLUIGMKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F5N4O2/c1-6-35-21(16(3)20(34-35)22(36)32-14-17-9-7-15(2)8-10-17)19-12-11-18(33-23(19)37-24(27)28)13-25(4,5)26(29,30)31/h11-12,15,17,24H,6-10,13-14H2,1-5H3,(H,32,36).
What are the key properties of 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 530.58 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).