3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine

C9H16BrN3O — CID 114663770

IUPAC3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
SMILESCOCCn1ncc(Br)c1CCCN
InChIInChI=1S/C9H16BrN3O/c1-14-6-5-13-9(3-2-4-11)8(10)7-12-13/h7H,2-6,11H2,1H3
InChIKeyLMNKQCUDFGITBB-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.18
Rot. Bonds6

About 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine

3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine (PubChem CID 114663770) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
PubChem CID114663770
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
SMILESCOCCn1ncc(Br)c1CCCN
InChIInChI=1S/C9H16BrN3O/c1-14-6-5-13-9(3-2-4-11)8(10)7-12-13/h7H,2-6,11H2,1H3
InChIKeyLMNKQCUDFGITBB-UHFFFAOYSA-N
XLogP1.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
CID 114665364
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
CID 114664967
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine
CID 104940626
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664544
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-fluoro-3-methylbutan-1-amine
CID 114667857
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine (CID 114663770) is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine is COCCn1ncc(Br)c1CCCN.
What is the InChIKey of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine?
The InChIKey is LMNKQCUDFGITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-14-6-5-13-9(3-2-4-11)8(10)7-12-13/h7H,2-6,11H2,1H3.
What are the key properties of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine?
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine has a molecular weight of 262.15 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 114663770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).