3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine

C10H16F3N3 — CID 64773437

IUPAC3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
SMILESCC(C)n1ccc(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-8(2)16-6-3-9(15-16)7-14-5-4-10(11,12)13/h3,6,8,14H,4-5,7H2,1-2H3
InChIKeyLUUGUPMAEPEZRU-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.51
Rot. Bonds5

About 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 64773437) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID64773437
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
SMILESCC(C)n1ccc(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-8(2)16-6-3-9(15-16)7-14-5-4-10(11,12)13/h3,6,8,14H,4-5,7H2,1-2H3
InChIKeyLUUGUPMAEPEZRU-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine (CID 64773437) is 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine is CC(C)n1ccc(CNCCC(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is LUUGUPMAEPEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(2)16-6-3-9(15-16)7-14-5-4-10(11,12)13/h3,6,8,14H,4-5,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 64773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).