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

C15H23F2N3O — CID 48652080

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H23F2N3O/c1-9-4-6-12(7-5-9)18-14(21)8-13-10(2)19-20(11(13)3)15(16)17/h9,12,15H,4-8H2,1-3H3,(H,18,21)
InChIKeyUOIBFBMFSVERDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.13
Rot. Bonds4

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 48652080) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID48652080
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H23F2N3O/c1-9-4-6-12(7-5-9)18-14(21)8-13-10(2)19-20(11(13)3)15(16)17/h9,12,15H,4-8H2,1-3H3,(H,18,21)
InChIKeyUOIBFBMFSVERDS-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.13
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
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-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide (CID 48652080) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UOIBFBMFSVERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-9-4-6-12(7-5-9)18-14(21)8-13-10(2)19-20(11(13)3)15(16)17/h9,12,15H,4-8H2,1-3H3,(H,18,21).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 48652080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).