N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

C8H12F3N3 — CID 83814207

IUPACN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-3-12-4-6-5-14(2)13-7(6)8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyNEROWDGCODLDIH-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.55
Rot. Bonds3

About N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 83814207) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID83814207
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-3-12-4-6-5-14(2)13-7(6)8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyNEROWDGCODLDIH-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (CID 83814207) is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is NEROWDGCODLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-3-12-4-6-5-14(2)13-7(6)8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 83814207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).