N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine

C12H20F3N3 — CID 91830725

IUPACN-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1cc(CC(C)C)n[nH]1)CC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-4-18(8-12(13,14)15)7-11-6-10(16-17-11)5-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyNEDFIARUCYOXQV-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 91830725) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID91830725
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1cc(CC(C)C)n[nH]1)CC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-4-18(8-12(13,14)15)7-11-6-10(16-17-11)5-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyNEDFIARUCYOXQV-UHFFFAOYSA-N
XLogP2.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
3,5-Diisopropylpyrazole
CID 5255229
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
2,2-difluoro-2-(3-(propan-2-yl)-1H-pyrazol-5-yl)ethan-1-amine
CID 119031272
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
3-(1-Isopropylpyrrolidin-2-YL)-5-(trifluoromethyl)-1H-pyrazole
CID 110249230
Diethyl-(5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-amine
CID 11138670
3-Isobutyl-5-(trifluoromethyl)-1H-pyrazole
CID 23236438
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]methylamine dihydrochloride
CID 44236864
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 91830725) is N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine is CCN(Cc1cc(CC(C)C)n[nH]1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is NEDFIARUCYOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-4-18(8-12(13,14)15)7-11-6-10(16-17-11)5-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 263.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 91830725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).