1-(1,2,2-trifluoroethyl)pyrazol-3-amine

C5H6F3N3 — CID 67163953

IUPAC1-(1,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(C(F)C(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-4(7)5(8)11-2-1-3(9)10-11/h1-2,4-5H,(H2,9,10)
InChIKeyZOZYGPXDOKVGBO-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.20
Rot. Bonds2

About 1-(1,2,2-trifluoroethyl)pyrazol-3-amine

1-(1,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 67163953) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID67163953
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1-(1,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(C(F)C(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-4(7)5(8)11-2-1-3(9)10-11/h1-2,4-5H,(H2,9,10)
InChIKeyZOZYGPXDOKVGBO-UHFFFAOYSA-N
XLogP1.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.20
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
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-(difluoromethyl)-1H-pyrazole
CID 5253348
3-(3-Amino-1H-pyrazol-1-yl)propanenitrile
CID 12245933
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
CID 47002600

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-(1,2,2-trifluoroethyl)pyrazol-3-amine (CID 67163953) is 1-(1,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)pyrazol-3-amine is Nc1ccn(C(F)C(F)F)n1.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is ZOZYGPXDOKVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-4(7)5(8)11-2-1-3(9)10-11/h1-2,4-5H,(H2,9,10).
What are the key properties of 1-(1,2,2-trifluoroethyl)pyrazol-3-amine?
1-(1,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 165.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 67163953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).