2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C9H14F3N3 — CID 83917687

IUPAC2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCC(c1cc(C)nn1C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6-4-8(15(3)14-6)7(5-13-2)9(10,11)12/h4,7,13H,5H2,1-3H3
InChIKeyICCRZEZIVANYOY-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.59
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 83917687) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID83917687
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCC(c1cc(C)nn1C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6-4-8(15(3)14-6)7(5-13-2)9(10,11)12/h4,7,13H,5H2,1-3H3
InChIKeyICCRZEZIVANYOY-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313929
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83834642
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81487439
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105157885
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
CID 105096744
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 83917687) is 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNCC(c1cc(C)nn1C)C(F)(F)F.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is ICCRZEZIVANYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6-4-8(15(3)14-6)7(5-13-2)9(10,11)12/h4,7,13H,5H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 83917687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).