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

C5H6F3N3 — CID 66439839

IUPAC[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,1,9H2,(H,10,11)
InChIKeyCLPPCPIPIUXYDE-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.89
Rot. Bonds1

About [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 66439839) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID66439839
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,1,9H2,(H,10,11)
InChIKeyCLPPCPIPIUXYDE-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 [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (CID 66439839) is [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is CLPPCPIPIUXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,1,9H2,(H,10,11).
What are the key properties of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
[5-(trifluoromethyl)-1H-pyrazol-4-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 [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 66439839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).