1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one

C11H14F3N5O2 — CID 75509177

IUPAC1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C11H14F3N5O2/c1-7(9(20)19-5-3-15-10(19)21)16-8-2-4-18(17-8)6-11(12,13)14/h2,4,7H,3,5-6H2,1H3,(H,15,21)(H,16,17)
InChIKeyINEBXHSUNIVWEF-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.80
Rot. Bonds4

About 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one

1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one (PubChem CID 75509177) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
PubChem CID75509177
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Name1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C11H14F3N5O2/c1-7(9(20)19-5-3-15-10(19)21)16-8-2-4-18(17-8)6-11(12,13)14/h2,4,7H,3,5-6H2,1H3,(H,15,21)(H,16,17)
InChIKeyINEBXHSUNIVWEF-UHFFFAOYSA-N
XLogP0.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one (CID 75509177) is 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one is CC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is INEBXHSUNIVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c1-7(9(20)19-5-3-15-10(19)21)16-8-2-4-18(17-8)6-11(12,13)14/h2,4,7H,3,5-6H2,1H3,(H,15,21)(H,16,17).
What are the key properties of 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one?
1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 305.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 75509177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).