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

C9H14F3N3 — CID 11138670

IUPACN-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N3/c1-3-15(4-2)6-7-5-8(14-13-7)9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJVGODNKDAYGBAW-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.27
Rot. Bonds4

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

N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 11138670) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID11138670
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N3/c1-3-15(4-2)6-7-5-8(14-13-7)9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJVGODNKDAYGBAW-UHFFFAOYSA-N
XLogP2.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 11138670) is N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine is CCN(CC)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is JVGODNKDAYGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-15(4-2)6-7-5-8(14-13-7)9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine?
N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 11138670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).