4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide

C11H16F3N3O — CID 77085439

IUPAC4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
SMILESCN(CCc1cnn(C)c1)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-16(10(18)3-5-11(12,13)14)6-4-9-7-15-17(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyHVBYGVNTOWGRKK-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.76
Rot. Bonds5

About 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide

4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide (PubChem CID 77085439) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
PubChem CID77085439
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
SMILESCN(CCc1cnn(C)c1)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-16(10(18)3-5-11(12,13)14)6-4-9-7-15-17(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyHVBYGVNTOWGRKK-UHFFFAOYSA-N
XLogP1.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide (CID 77085439) is 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide is CN(CCc1cnn(C)c1)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is HVBYGVNTOWGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-16(10(18)3-5-11(12,13)14)6-4-9-7-15-17(2)8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide?
4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 263.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 77085439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).