1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine

C8H14BrN3O — CID 141241176

IUPAC1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-7(10-3-4-13-2)12-6-8(9)5-11-12/h5-7,10H,3-4H2,1-2H3
InChIKeySMFPYKBFSHQDFD-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.40
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine

1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 141241176) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID141241176
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-7(10-3-4-13-2)12-6-8(9)5-11-12/h5-7,10H,3-4H2,1-2H3
InChIKeySMFPYKBFSHQDFD-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.40
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

4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
4-bromo-1-(2-ethoxyethyl)-1H-pyrazole
CID 51892139
4-Bromo-1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 61175231
2-(4-Bromo-1H-pyrazol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62565688
4-bromo-N-(2-methoxyethyl)-1-methylpyrazol-3-amine
CID 90289581
1-(4-Bromopyrazol-1-yl)-1-(1-hydroxyethylamino)propan-2-ol
CID 123167308
1-(2-Methoxyethyl)-4-methylbromanuidylpyrazole
CID 153399712
2-(4-Bromopyrazol-1-yl)-1,3-oxazolidine
CID 175484231
1-[3-(4-Bromopyrazol-1-yl)propyl]-3-(3-methoxypropyl)thiourea
CID 17269931
1-[3-(4-Bromopyrazol-1-yl)propyl]-3-(3-ethoxypropyl)thiourea
CID 19334261
1-[3-(4-Bromopyrazol-1-yl)propyl]-3-(2-methoxyethyl)thiourea
CID 19334286
1-[2-(4-Bromopyrazol-1-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 20176900

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine (CID 141241176) is 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)n1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is SMFPYKBFSHQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-7(10-3-4-13-2)12-6-8(9)5-11-12/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine?
1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 248.12 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 141241176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).