4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine

C10H16F3N3 — CID 115710852

IUPAC4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCCc1cnn(C)c1
InChIInChI=1S/C10H16F3N3/c1-8(5-10(11,12)13)14-4-3-9-6-15-16(2)7-9/h6-8,14H,3-5H2,1-2H3
InChIKeyLNDHTVNJEQQDNC-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.89
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine

4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 115710852) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
PubChem CID115710852
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCCc1cnn(C)c1
InChIInChI=1S/C10H16F3N3/c1-8(5-10(11,12)13)14-4-3-9-6-15-16(2)7-9/h6-8,14H,3-5H2,1-2H3
InChIKeyLNDHTVNJEQQDNC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine (CID 115710852) is 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine is CC(CC(F)(F)F)NCCc1cnn(C)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is LNDHTVNJEQQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(5-10(11,12)13)14-4-3-9-6-15-16(2)7-9/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 1.89, 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-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115710852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).