1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one

C12H17F3N4O — CID 86795461

IUPAC1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCCC1
InChIInChI=1S/C12H17F3N4O/c1-9(11(20)18-5-2-3-6-18)16-10-4-7-19(17-10)8-12(13,14)15/h4,7,9H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeySKZNUXOQGGCBRQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.87
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one

1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one (PubChem CID 86795461) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
PubChem CID86795461
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCCC1
InChIInChI=1S/C12H17F3N4O/c1-9(11(20)18-5-2-3-6-18)16-10-4-7-19(17-10)8-12(13,14)15/h4,7,9H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeySKZNUXOQGGCBRQ-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one (CID 86795461) is 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one is CC(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The InChIKey is SKZNUXOQGGCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-9(11(20)18-5-2-3-6-18)16-10-4-7-19(17-10)8-12(13,14)15/h4,7,9H,2-3,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one has a molecular weight of 290.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one is sourced from PubChem (CID 86795461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).