2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine

C9H10F3N3 — CID 121210697

IUPAC2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESC#CCn1nc(C(F)(F)F)cc1CCN
InChIInChI=1S/C9H10F3N3/c1-2-5-15-7(3-4-13)6-8(14-15)9(10,11)12/h1,6H,3-5,13H2
InChIKeyDZOZEHGESJOZFD-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.04
Rot. Bonds3

About 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine

2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine (PubChem CID 121210697) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
PubChem CID121210697
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESC#CCn1nc(C(F)(F)F)cc1CCN
InChIInChI=1S/C9H10F3N3/c1-2-5-15-7(3-4-13)6-8(14-15)9(10,11)12/h1,6H,3-5,13H2
InChIKeyDZOZEHGESJOZFD-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210689
5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole
CID 121211730
5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
CID 121210625
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210685
[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847705
5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
CID 46735267

Frequently Asked Questions

What is the IUPAC name of 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine (CID 121210697) is 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine is C#CCn1nc(C(F)(F)F)cc1CCN.
What is the InChIKey of 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The InChIKey is DZOZEHGESJOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-2-5-15-7(3-4-13)6-8(14-15)9(10,11)12/h1,6H,3-5,13H2.
What are the key properties of 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine has a molecular weight of 217.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine is sourced from PubChem (CID 121210697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).