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

C13H21F2N3O — CID 48651580

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H21F2N3O/c1-6-13(4,5)16-11(19)7-10-8(2)17-18(9(10)3)12(14)15/h12H,6-7H2,1-5H3,(H,16,19)
InChIKeyLNOLPCGNXBLJQT-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.74
Rot. Bonds5

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 48651580) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID48651580
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H21F2N3O/c1-6-13(4,5)16-11(19)7-10-8(2)17-18(9(10)3)12(14)15/h12H,6-7H2,1-5H3,(H,16,19)
InChIKeyLNOLPCGNXBLJQT-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
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,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-methoxy-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862504
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
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
N-cyclopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675665
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 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide (CID 48651580) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LNOLPCGNXBLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-6-13(4,5)16-11(19)7-10-8(2)17-18(9(10)3)12(14)15/h12H,6-7H2,1-5H3,(H,16,19).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.74, 5 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 48651580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).