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

C14H20F2N4O2 — CID 48655687

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C14H20F2N4O2/c1-9-11(10(2)20(18-9)14(15)16)7-12(21)17-8-13(22)19-5-3-4-6-19/h14H,3-8H2,1-2H3,(H,17,21)
InChIKeyNAKPZBGOADNWBQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.18
Rot. Bonds5

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 48655687) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID48655687
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C14H20F2N4O2/c1-9-11(10(2)20(18-9)14(15)16)7-12(21)17-8-13(22)19-5-3-4-6-19/h14H,3-8H2,1-2H3,(H,17,21)
InChIKeyNAKPZBGOADNWBQ-UHFFFAOYSA-N
XLogP1.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 48655687) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is NAKPZBGOADNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-9-11(10(2)20(18-9)14(15)16)7-12(21)17-8-13(22)19-5-3-4-6-19/h14H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 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-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 48655687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).