ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine

C17H31F3N4 — CID 143113277

IUPACethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC.CC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H25F3N4.C2H6/c1-11(2)8-22(13-4-6-19-7-5-13)10-12-9-21(3)20-14(12)15(16,17)18;1-2/h9,11,13,19H,4-8,10H2,1-3H3;1-2H3
InChIKeyUOAHRTVTQBVUIE-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.68
Rot. Bonds5

About ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine

ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 143113277) has the molecular formula C17H31F3N4 and a molecular weight of 348.46 g/mol. Its IUPAC name is ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Nameethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID143113277
Molecular FormulaC17H31F3N4
Molecular Weight348.46 g/mol
Exact Mass348.25
IUPAC Nameethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC.CC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H25F3N4.C2H6/c1-11(2)8-22(13-4-6-19-7-5-13)10-12-9-21(3)20-14(12)15(16,17)18;1-2/h9,11,13,19H,4-8,10H2,1-3H3;1-2H3
InChIKeyUOAHRTVTQBVUIE-UHFFFAOYSA-N
XLogP3.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
(3-methyl-1-pentyl-1H-pyrazol-4-yl)methanamine
CID 64450211
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine
CID 126844201
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 52379211
1-[[3-(Difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 86796782
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
CID 97244177
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
CID 129488065
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 57640345
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66441328
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
CID 67246042

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (CID 143113277) is ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is CC.CC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is UOAHRTVTQBVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4.C2H6/c1-11(2)8-22(13-4-6-19-7-5-13)10-12-9-21(3)20-14(12)15(16,17)18;1-2/h9,11,13,19H,4-8,10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 348.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 143113277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).