1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

C6H8F3N3 — CID 82599985

IUPAC1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)
InChIKeyHHZBZNKEVOBGRT-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.45
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82599985) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82599985
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)
InChIKeyHHZBZNKEVOBGRT-UHFFFAOYSA-N
XLogP1.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
(3-cyclopropyl-1H-pyrazol-5-yl)methanamine
CID 6485300
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
CID 3157457
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (CID 82599985) is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is CC(N)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is HHZBZNKEVOBGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 179.15 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82599985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).