5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine

C9H14F3N3 — CID 79954244

IUPAC5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCn1cc(CC(N)CCC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3/c1-15-6-7(5-14-15)4-8(13)2-3-9(10,11)12/h5-6,8H,2-4,13H2,1H3
InChIKeyRFVJIQWFYOBPQX-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.63
Rot. Bonds4

About 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine

5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine (PubChem CID 79954244) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
PubChem CID79954244
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCn1cc(CC(N)CCC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3/c1-15-6-7(5-14-15)4-8(13)2-3-9(10,11)12/h5-6,8H,2-4,13H2,1H3
InChIKeyRFVJIQWFYOBPQX-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148190
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine (CID 79954244) is 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine is Cn1cc(CC(N)CCC(F)(F)F)cn1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The InChIKey is RFVJIQWFYOBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-15-6-7(5-14-15)4-8(13)2-3-9(10,11)12/h5-6,8H,2-4,13H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine?
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine is sourced from PubChem (CID 79954244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).