N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine

C8H12F3N3 — CID 43492391

IUPACN-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-3-12-7(8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3
InChIKeySGSQRDSXMXVWKG-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.63
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43492391) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43492391
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-3-12-7(8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3
InChIKeySGSQRDSXMXVWKG-UHFFFAOYSA-N
XLogP1.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine (CID 43492391) is N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine is CCNC(c1cnn(C)c1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is SGSQRDSXMXVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-3-12-7(8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43492391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).