4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine

C10H16F3N3O — CID 114255447

IUPAC4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc(OC)n(C)n1
InChIInChI=1S/C10H16F3N3O/c1-14-7(4-5-10(11,12)13)8-6-9(17-3)16(2)15-8/h6-7,14H,4-5H2,1-3H3
InChIKeyUWZBCKWSNABXOD-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.03
Rot. Bonds5

About 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine

4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine (PubChem CID 114255447) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine
PubChem CID114255447
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc(OC)n(C)n1
InChIInChI=1S/C10H16F3N3O/c1-14-7(4-5-10(11,12)13)8-6-9(17-3)16(2)15-8/h6-7,14H,4-5H2,1-3H3
InChIKeyUWZBCKWSNABXOD-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine (CID 114255447) is 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1cc(OC)n(C)n1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine?
The InChIKey is UWZBCKWSNABXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-14-7(4-5-10(11,12)13)8-6-9(17-3)16(2)15-8/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine?
4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114255447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).