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

C11H18BrN3O — CID 104940626

IUPAC4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine
SMILESCOCCn1ncc(Br)c1C(C)=CCCN
InChIInChI=1S/C11H18BrN3O/c1-9(4-3-5-13)11-10(12)8-14-15(11)6-7-16-2/h4,8H,3,5-7,13H2,1-2H3
InChIKeyJURZOSZMNBXWJT-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.04
Rot. Bonds6

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

4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine (PubChem CID 104940626) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine
PubChem CID104940626
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine
SMILESCOCCn1ncc(Br)c1C(C)=CCCN
InChIInChI=1S/C11H18BrN3O/c1-9(4-3-5-13)11-10(12)8-14-15(11)6-7-16-2/h4,8H,3,5-7,13H2,1-2H3
InChIKeyJURZOSZMNBXWJT-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
CID 114668272
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butan-1-one
CID 114668511
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylbutan-1-one
CID 115806154
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-4-en-1-one
CID 114670989
(4-amino-3,5-dichlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114671126
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanone
CID 114641724
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114671089
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114668433

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine?
The IUPAC name of 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine (CID 104940626) is 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine is COCCn1ncc(Br)c1C(C)=CCCN.
What is the InChIKey of 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine?
The InChIKey is JURZOSZMNBXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9(4-3-5-13)11-10(12)8-14-15(11)6-7-16-2/h4,8H,3,5-7,13H2,1-2H3.
What are the key properties of 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine?
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine has a molecular weight of 288.19 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 104940626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).