1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H16F3N3O — CID 112742359

IUPAC1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(C)cnn1C
InChIInChI=1S/C10H16F3N3O/c1-7-4-15-16(3)9(7)8(14-2)5-17-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3
InChIKeyXWDPTWQVUIRVLW-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.57
Rot. Bonds5

About 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 112742359) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID112742359
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(C)cnn1C
InChIInChI=1S/C10H16F3N3O/c1-7-4-15-16(3)9(7)8(14-2)5-17-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3
InChIKeyXWDPTWQVUIRVLW-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-5-yl)morpholine
CID 82597432
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444856
(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444857
(R)-(4,4-difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444859
(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
CID 148711828
2-(1,4-Dimethylpyrazol-5-yl)-2,2-difluoroethanol;ethane
CID 153599984
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031742
1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 63826420
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 65197386
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 83082203
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102977987
2-(2,2-difluoroethoxy)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103080965

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 112742359) is 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1c(C)cnn1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XWDPTWQVUIRVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7-4-15-16(3)9(7)8(14-2)5-17-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 112742359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).