1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine

C8H11F4N3 — CID 121210709

IUPAC1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)nn1CCF
InChIInChI=1S/C8H11F4N3/c1-13-5-6-4-7(8(10,11)12)14-15(6)3-2-9/h4,13H,2-3,5H2,1H3
InChIKeyBBWVWHPIWXYIJW-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.59
Rot. Bonds4

About 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine

1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine (PubChem CID 121210709) has the molecular formula C8H11F4N3 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
PubChem CID121210709
Molecular FormulaC8H11F4N3
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC Name1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)nn1CCF
InChIInChI=1S/C8H11F4N3/c1-13-5-6-4-7(8(10,11)12)14-15(6)3-2-9/h4,13H,2-3,5H2,1H3
InChIKeyBBWVWHPIWXYIJW-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
CID 121210625
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
CID 121211276
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
CID 177142047
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
2-[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210685
1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
CID 178092715
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210325

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine (CID 121210709) is 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine is CNCc1cc(C(F)(F)F)nn1CCF.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is BBWVWHPIWXYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3/c1-13-5-6-4-7(8(10,11)12)14-15(6)3-2-9/h4,13H,2-3,5H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine?
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 225.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 121210709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).