4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide

C11H16F3N3O — CID 91789008

IUPAC4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
SMILESCCC(NC(=O)CCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C11H16F3N3O/c1-3-8(9-5-7-15-17(9)2)16-10(18)4-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyKZZPBXNPINNERZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.33
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide

4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide (PubChem CID 91789008) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
PubChem CID91789008
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
SMILESCCC(NC(=O)CCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C11H16F3N3O/c1-3-8(9-5-7-15-17(9)2)16-10(18)4-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyKZZPBXNPINNERZ-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide (CID 91789008) is 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide is CCC(NC(=O)CCC(F)(F)F)c1ccnn1C.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
The InChIKey is KZZPBXNPINNERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8(9-5-7-15-17(9)2)16-10(18)4-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,16,18).
What are the key properties of 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide?
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide has a molecular weight of 263.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide is sourced from PubChem (CID 91789008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).