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

C15H25F2N3O2 — CID 71990879

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C15H25F2N3O2/c1-6-9(2)15(5,22)8-18-13(21)7-12-10(3)19-20(11(12)4)14(16)17/h9,14,22H,6-8H2,1-5H3,(H,18,21)
InChIKeyZPIHQRVQEOCTNG-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.35
Rot. Bonds7

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide (PubChem CID 71990879) has the molecular formula C15H25F2N3O2 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide
PubChem CID71990879
Molecular FormulaC15H25F2N3O2
Molecular Weight317.38 g/mol
Exact Mass317.19
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C15H25F2N3O2/c1-6-9(2)15(5,22)8-18-13(21)7-12-10(3)19-20(11(12)4)14(16)17/h9,14,22H,6-8H2,1-5H3,(H,18,21)
InChIKeyZPIHQRVQEOCTNG-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062543
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062545
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062546
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 36820880
N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47042769
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 48651580
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 48652080
methyl (2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoate
CID 48653643

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide (CID 71990879) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide is CCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide?
The InChIKey is ZPIHQRVQEOCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O2/c1-6-9(2)15(5,22)8-18-13(21)7-12-10(3)19-20(11(12)4)14(16)17/h9,14,22H,6-8H2,1-5H3,(H,18,21).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide has a molecular weight of 317.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2,3-dimethylpentyl)acetamide is sourced from PubChem (CID 71990879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).