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

C17H27F2N3O — CID 56824034

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCCCC1C
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
InChIKeyUVOGLDAMFAVTCD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.86
Rot. Bonds5

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 56824034) 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-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide
PubChem CID56824034
Molecular FormulaC17H27F2N3O
Molecular Weight327.42 g/mol
Exact Mass327.21
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCCCC1C
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
InChIKeyUVOGLDAMFAVTCD-UHFFFAOYSA-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

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Related Compounds

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
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
1-(4-Propyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56822440
(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 164641901
1-[4-[2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 122633507
1-[4-[2-[4-Methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 134331557
1-[4-[2-[5-Ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 134331583
1-[4-[2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone;ethane
CID 144862600
2-cyclohexyl-1-[1-cyclohexyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 144973665
2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 144973721

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide (CID 56824034) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide is CCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCCCC1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is UVOGLDAMFAVTCD-UHFFFAOYSA-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.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(2-methylcyclohexyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-(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-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 56824034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).