2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C18H28F3N3O — CID 36820880

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H28F3N3O/c1-11(2)10-24-13(4)16(12(3)23-24)9-17(25)22-15-7-5-14(6-8-15)18(19,20)21/h11,14-15H,5-10H2,1-4H3,(H,22,25)
InChIKeyFSXKHWZFCWACLU-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.94
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 36820880) has the molecular formula C18H28F3N3O and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID36820880
Molecular FormulaC18H28F3N3O
Molecular Weight359.44 g/mol
Exact Mass359.22
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H28F3N3O/c1-11(2)10-24-13(4)16(12(3)23-24)9-17(25)22-15-7-5-14(6-8-15)18(19,20)21/h11,14-15H,5-10H2,1-4H3,(H,22,25)
InChIKeyFSXKHWZFCWACLU-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39935160
N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41331725
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
CID 45106854
(1R*,2S*)-N-butyl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2-cyclohexanedicarboxamide
CID 70756192
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
CID 48658242
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 36820880) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is FSXKHWZFCWACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3O/c1-11(2)10-24-13(4)16(12(3)23-24)9-17(25)22-15-7-5-14(6-8-15)18(19,20)21/h11,14-15H,5-10H2,1-4H3,(H,22,25).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 359.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 36820880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).