[1-(trifluoromethyl)pyrazol-4-yl]methanamine

C5H6F3N3 — CID 99982813

IUPAC[1-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(C(F)(F)F)c1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)11-3-4(1-9)2-10-11/h2-3H,1,9H2
InChIKeyISWSQSVEDDSCDE-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.82
Rot. Bonds1

About [1-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 99982813) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is [1-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID99982813
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name[1-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(C(F)(F)F)c1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)11-3-4(1-9)2-10-11/h2-3H,1,9H2
InChIKeyISWSQSVEDDSCDE-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 99982813) is [1-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(trifluoromethyl)pyrazol-4-yl]methanamine is NCc1cnn(C(F)(F)F)c1.
What is the InChIKey of [1-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is ISWSQSVEDDSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)11-3-4(1-9)2-10-11/h2-3H,1,9H2.
What are the key properties of [1-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 165.12 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 99982813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).