1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H14F3N3O — CID 103215297

IUPAC1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1nccc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-15-8(3-4-14-15)7(13)5-16-6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyXULXRJLEVXUQCT-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.48
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215297) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215297
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1nccc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-15-8(3-4-14-15)7(13)5-16-6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyXULXRJLEVXUQCT-UHFFFAOYSA-N
XLogP1.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82597432
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CID 50967467
1,4-dithiepan-6-yl[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]amine
CID 56702016
1-isobutyl-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
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2-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 83390687
2-Amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
CID 138755866
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine dihydrochloride
CID 146154019
3-(1-methyl-1H-pyrazol-5-yl)oxetan-3-amine hydrochloride
CID 165687848
2-Amino-2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 82418079
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 115858407
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CID 145428107

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215297) is 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1nccc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XULXRJLEVXUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-15-8(3-4-14-15)7(13)5-16-6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).