N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H22F3N3O — CID 31062543

IUPACN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-,12+/m1/s1
InChIKeySHIRGSXDGQCUHM-NEPJUHHUSA-N
MW317.36 g/mol
LogP2.82
Rot. Bonds3

About N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 31062543) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID31062543
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-,12+/m1/s1
InChIKeySHIRGSXDGQCUHM-NEPJUHHUSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(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-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
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-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide
CID 56824034

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 31062543) is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SHIRGSXDGQCUHM-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 31062543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).