5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide

C10H14F3N3O — CID 112737879

IUPAC5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nn1cccc1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8(3-4-14)7-9(17)15-16-5-1-2-6-16/h1-2,5-6,8H,3-4,7,14H2,(H,15,17)
InChIKeyCJQOQTPZIBDBIJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide

5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide (PubChem CID 112737879) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide
PubChem CID112737879
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nn1cccc1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8(3-4-14)7-9(17)15-16-5-1-2-6-16/h1-2,5-6,8H,3-4,7,14H2,(H,15,17)
InChIKeyCJQOQTPZIBDBIJ-UHFFFAOYSA-N
XLogP1.48
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide?
The IUPAC name of 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide (CID 112737879) is 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide?
The canonical SMILES for 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide is NCCC(CC(=O)Nn1cccc1)C(F)(F)F.
What is the InChIKey of 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide?
The InChIKey is CJQOQTPZIBDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8(3-4-14)7-9(17)15-16-5-1-2-6-16/h1-2,5-6,8H,3-4,7,14H2,(H,15,17).
What are the key properties of 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide?
5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide has a molecular weight of 249.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 112737879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).