2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C17H27F2N3O — CID 95567771

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C17H27F2N3O/c1-5-21(15-9-7-6-8-11(15)2)16(23)10-14-12(3)20-22(13(14)4)17(18)19/h11,15,17H,5-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyUVOGLDAMFAVTCD-IAQYHMDHSA-N
MW327.42 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 95567771) has the molecular formula C17H27F2N3O and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID95567771
Molecular FormulaC17H27F2N3O
Molecular Weight327.42 g/mol
Exact Mass327.21
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C17H27F2N3O/c1-5-21(15-9-7-6-8-11(15)2)16(23)10-14-12(3)20-22(13(14)4)17(18)19/h11,15,17H,5-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyUVOGLDAMFAVTCD-IAQYHMDHSA-N
XLogP3.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825850
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 146084307
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604016
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-2-ylmethyl)acetamide;hydrochloride
CID 86813758
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119546351
1-ethyl-1-(2-methylcyclohexyl)urea
CID 174296150
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
CID 139005200
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 99849753
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 86780066
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 95567771) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide is CCN(C(=O)Cc1c(C)nn(C(F)F)c1C)[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is UVOGLDAMFAVTCD-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H27F2N3O/c1-5-21(15-9-7-6-8-11(15)2)16(23)10-14-12(3)20-22(13(14)4)17(18)19/h11,15,17H,5-10H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 95567771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).