2-(2,2,2-trifluoroethyl)pyrazol-3-amine

C5H6F3N3 — CID 56965641

IUPAC2-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccnn1CC(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-11-4(9)1-2-10-11/h1-2H,3,9H2
InChIKeyGZOALQBFRPTQPI-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.03
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)pyrazol-3-amine

2-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 56965641) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID56965641
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name2-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccnn1CC(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-11-4(9)1-2-10-11/h1-2H,3,9H2
InChIKeyGZOALQBFRPTQPI-UHFFFAOYSA-N
XLogP1.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Methyl-3-aminopyrazole
CID 137254
1-Ethyl-1H-pyrazol-5-amine
CID 337310
2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
CID 320281
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-Butyl-1H-pyrazol-5-amine
CID 642216
1-Cyclohexyl-1H-pyrazol-5-amine
CID 77060
1-cyclopentyl-1H-pyrazol-5-amine
CID 1079792
3-(3-Amino-1H-pyrazol-1-yl)propanenitrile
CID 12245933

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 56965641) is 2-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1ccnn1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is GZOALQBFRPTQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)3-11-4(9)1-2-10-11/h1-2H,3,9H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)pyrazol-3-amine?
2-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 165.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 56965641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).