1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H15BrF3N3O — CID 103148166

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCn1ncc(Br)c1C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H15BrF3N3O/c1-2-17-9(7(11)5-16-17)8(15)3-4-18-6-10(12,13)14/h5,8H,2-4,6,15H2,1H3
InChIKeyKXTFWVSFNCWIJP-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148166) has the molecular formula C10H15BrF3N3O and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148166
Molecular FormulaC10H15BrF3N3O
Molecular Weight330.15 g/mol
Exact Mass329.04
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCn1ncc(Br)c1C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H15BrF3N3O/c1-2-17-9(7(11)5-16-17)8(15)3-4-18-6-10(12,13)14/h5,8H,2-4,6,15H2,1H3
InChIKeyKXTFWVSFNCWIJP-UHFFFAOYSA-N
XLogP2.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147566
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477762
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648474

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148166) is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCn1ncc(Br)c1C(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KXTFWVSFNCWIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3N3O/c1-2-17-9(7(11)5-16-17)8(15)3-4-18-6-10(12,13)14/h5,8H,2-4,6,15H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 330.15 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).