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

C11H17BrF3N3O — CID 103148422

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCn1ncc(Br)c1C(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H17BrF3N3O/c1-3-18-10(8(12)6-17-18)9(16-2)4-5-19-7-11(13,14)15/h6,9,16H,3-5,7H2,1-2H3
InChIKeyRDBDLPJWTAGNFE-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.89
Rot. Bonds7

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

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148422) has the molecular formula C11H17BrF3N3O and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148422
Molecular FormulaC11H17BrF3N3O
Molecular Weight344.18 g/mol
Exact Mass343.05
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCn1ncc(Br)c1C(CCOCC(F)(F)F)NC
InChIInChI=1S/C11H17BrF3N3O/c1-3-18-10(8(12)6-17-18)9(16-2)4-5-19-7-11(13,14)15/h6,9,16H,3-5,7H2,1-2H3
InChIKeyRDBDLPJWTAGNFE-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.89
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-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025486
2-[4-bromo-5-(1-hydrazinyl-3-methoxy-3-methylbutyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 103025488
[1-(4-Bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025489
[1-(4-Bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025491
[1-(4-Bromo-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025522
1-(4-Bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029368
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029369
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029374
1-(4-Bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029378
1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029380
1-(4-Bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029384
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029385

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148422) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCn1ncc(Br)c1C(CCOCC(F)(F)F)NC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RDBDLPJWTAGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF3N3O/c1-3-18-10(8(12)6-17-18)9(16-2)4-5-19-7-11(13,14)15/h6,9,16H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 344.18 g/mol, XLogP of 2.89, 7 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)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).