N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H17F3N4O — CID 63709484

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N4O/c1-9(6-19-5-4-17-8-19)18-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyZFACDEXFOWSTEV-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.93
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709484) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709484
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H17F3N4O/c1-9(6-19-5-4-17-8-19)18-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyZFACDEXFOWSTEV-UHFFFAOYSA-N
XLogP0.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709484) is N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(Cn1ccnc1)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZFACDEXFOWSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-9(6-19-5-4-17-8-19)18-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).