N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine

C11H16F3N3 — CID 106937156

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESC=Cn1cc(CNCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3/c1-2-17-9-10(8-16-17)7-15-6-4-3-5-11(12,13)14/h2,8-9,15H,1,3-7H2
InChIKeyMEBDSVDAUSFFLR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.81
Rot. Bonds7

About N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 106937156) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID106937156
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESC=Cn1cc(CNCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3/c1-2-17-9-10(8-16-17)7-15-6-4-3-5-11(12,13)14/h2,8-9,15H,1,3-7H2
InChIKeyMEBDSVDAUSFFLR-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
CID 106937408
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
2-(4-chlorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106935437

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine (CID 106937156) is N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine is C=Cn1cc(CNCCCCC(F)(F)F)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is MEBDSVDAUSFFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-17-9-10(8-16-17)7-15-6-4-3-5-11(12,13)14/h2,8-9,15H,1,3-7H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 106937156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).