2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C8H12F3N3 — CID 121213237

IUPAC2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CCN
InChIInChI=1S/C8H12F3N3/c1-2-6-5(3-4-12)7(14-13-6)8(9,10)11/h2-4,12H2,1H3,(H,13,14)
InChIKeyNRXKJOXTIIPKBB-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.49
Rot. Bonds3

About 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 121213237) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID121213237
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CCN
InChIInChI=1S/C8H12F3N3/c1-2-6-5(3-4-12)7(14-13-6)8(9,10)11/h2-4,12H2,1H3,(H,13,14)
InChIKeyNRXKJOXTIIPKBB-UHFFFAOYSA-N
XLogP1.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 121213237) is 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is CCc1[nH]nc(C(F)(F)F)c1CCN.
What is the InChIKey of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is NRXKJOXTIIPKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-6-5(3-4-12)7(14-13-6)8(9,10)11/h2-4,12H2,1H3,(H,13,14).
What are the key properties of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 121213237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).