1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C8H12F3N3O — CID 82721399

IUPAC1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCn1cc(CNOCC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c1-2-14-5-7(3-12-14)4-13-15-6-8(9,10)11/h3,5,13H,2,4,6H2,1H3
InChIKeyKEKNYEIEAKHNBY-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.49
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82721399) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82721399
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCn1cc(CNOCC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c1-2-14-5-7(3-12-14)4-13-15-6-8(9,10)11/h3,5,13H,2,4,6H2,1H3
InChIKeyKEKNYEIEAKHNBY-UHFFFAOYSA-N
XLogP1.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213962
N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711445
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732130
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625478
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[(1-ethylpyrazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789662
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 104822060
N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83013968
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82721399) is 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is CCn1cc(CNOCC(F)(F)F)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is KEKNYEIEAKHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-14-5-7(3-12-14)4-13-15-6-8(9,10)11/h3,5,13H,2,4,6H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 223.20 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).