2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide

C15H22BrF2N3O — CID 51423960

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H22BrF2N3O/c1-8-5-4-6-11(9(8)2)19-12(22)7-21-10(3)13(16)14(20-21)15(17)18/h8-9,11,15H,4-7H2,1-3H3,(H,19,22)/t8-,9+,11+/m1/s1
InChIKeyZDSLWGRHMUNFNY-YWVKMMECSA-N
MW378.26 g/mol
LogP3.83
Rot. Bonds4

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 51423960) has the molecular formula C15H22BrF2N3O and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID51423960
Molecular FormulaC15H22BrF2N3O
Molecular Weight378.26 g/mol
Exact Mass377.09
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H22BrF2N3O/c1-8-5-4-6-11(9(8)2)19-12(22)7-21-10(3)13(16)14(20-21)15(17)18/h8-9,11,15H,4-7H2,1-3H3,(H,19,22)/t8-,9+,11+/m1/s1
InChIKeyZDSLWGRHMUNFNY-YWVKMMECSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 40622035
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]thiourea
CID 11936484
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 51889059
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 45281379
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 30724296
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520030
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 8008576
N-(2,3-dimethylcyclohexyl)-2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884973
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 92669008

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide (CID 51423960) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide is Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is ZDSLWGRHMUNFNY-YWVKMMECSA-N. The full InChI is InChI=1S/C15H22BrF2N3O/c1-8-5-4-6-11(9(8)2)19-12(22)7-21-10(3)13(16)14(20-21)15(17)18/h8-9,11,15H,4-7H2,1-3H3,(H,19,22)/t8-,9+,11+/m1/s1.
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 378.26 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 51423960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).