1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H14F3N3O — CID 103214758

IUPAC1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1cc(C(N)COCC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-15-4-7(3-14-15)8(13)5-16-6-9(10,11)12/h3-4,8H,2,5-6,13H2,1H3
InChIKeyVPWPOKYXJOEKFP-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.48
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103214758) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103214758
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1cc(C(N)COCC(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-15-4-7(3-14-15)8(13)5-16-6-9(10,11)12/h3-4,8H,2,5-6,13H2,1H3
InChIKeyVPWPOKYXJOEKFP-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

1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103214758) is 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1cc(C(N)COCC(F)(F)F)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VPWPOKYXJOEKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-15-4-7(3-14-15)8(13)5-16-6-9(10,11)12/h3-4,8H,2,5-6,13H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103214758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).