4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C14H21F3N4O — CID 75515362

IUPAC4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(NC1CC(=O)N(CC(F)(F)F)C1)c1cnn(C(C)C)c1
InChIInChI=1S/C14H21F3N4O/c1-9(2)21-6-11(5-18-21)10(3)19-12-4-13(22)20(7-12)8-14(15,16)17/h5-6,9-10,12,19H,4,7-8H2,1-3H3
InChIKeyFFMMXMYEHKCXLM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.28
Rot. Bonds5

About 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 75515362) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID75515362
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(NC1CC(=O)N(CC(F)(F)F)C1)c1cnn(C(C)C)c1
InChIInChI=1S/C14H21F3N4O/c1-9(2)21-6-11(5-18-21)10(3)19-12-4-13(22)20(7-12)8-14(15,16)17/h5-6,9-10,12,19H,4,7-8H2,1-3H3
InChIKeyFFMMXMYEHKCXLM-UHFFFAOYSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 75515362) is 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(NC1CC(=O)N(CC(F)(F)F)C1)c1cnn(C(C)C)c1.
What is the InChIKey of 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is FFMMXMYEHKCXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-9(2)21-6-11(5-18-21)10(3)19-12-4-13(22)20(7-12)8-14(15,16)17/h5-6,9-10,12,19H,4,7-8H2,1-3H3.
What are the key properties of 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 318.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 75515362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).