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

C9H14F3N3 — CID 135215875

IUPACN-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-13-5-7-6-15(4-2)14-8(7)9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyCJCSNVPAFVSYGN-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.03
Rot. Bonds4

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

N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 135215875) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID135215875
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-13-5-7-6-15(4-2)14-8(7)9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyCJCSNVPAFVSYGN-UHFFFAOYSA-N
XLogP2.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
CID 118357705
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
2-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrimidine-4-carbonitrile
CID 163347826
4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357698
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19550194
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
CID 167075132
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99819881
1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole;[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165035595

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (CID 135215875) is N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(CC)nc1C(F)(F)F.
What is the InChIKey of N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is CJCSNVPAFVSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-13-5-7-6-15(4-2)14-8(7)9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 135215875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).