2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C11H13F3N4O2 — CID 138026607

IUPAC2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCN1C(=O)CCC1CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H13F3N4O2/c1-18-6(2-3-10(18)20)4-9(19)15-8-5-7(16-17-8)11(12,13)14/h5-6H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeyCXASJOHPPFEWKV-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.38
Rot. Bonds3

About 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 138026607) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID138026607
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCN1C(=O)CCC1CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H13F3N4O2/c1-18-6(2-3-10(18)20)4-9(19)15-8-5-7(16-17-8)11(12,13)14/h5-6H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeyCXASJOHPPFEWKV-UHFFFAOYSA-N
XLogP1.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 138026607) is 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CN1C(=O)CCC1CC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is CXASJOHPPFEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-18-6(2-3-10(18)20)4-9(19)15-8-5-7(16-17-8)11(12,13)14/h5-6H,2-4H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 290.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 138026607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).