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

C5H6F3N3 — CID 50896787

IUPAC[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11)
InChIKeyLLYMWMOKKONGOI-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.89
Rot. Bonds1

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

[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 50896787) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID50896787
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11)
InChIKeyLLYMWMOKKONGOI-UHFFFAOYSA-N
XLogP0.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 50896787) is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is LLYMWMOKKONGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11).
What are the key properties of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 165.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 50896787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).