4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole

C10H16Br2N2O — CID 114665364

IUPAC4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1CCC(C)Br
InChIInChI=1S/C10H16Br2N2O/c1-8(11)3-4-10-9(12)7-13-14(10)5-6-15-2/h7-8H,3-6H2,1-2H3
InChIKeyFQMZTQSFKFRIDA-UHFFFAOYSA-N
MW340.06 g/mol
LogP3.01
Rot. Bonds6

About 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole

4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 114665364) has the molecular formula C10H16Br2N2O and a molecular weight of 340.06 g/mol. Its IUPAC name is 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
PubChem CID114665364
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1CCC(C)Br
InChIInChI=1S/C10H16Br2N2O/c1-8(11)3-4-10-9(12)7-13-14(10)5-6-15-2/h7-8H,3-6H2,1-2H3
InChIKeyFQMZTQSFKFRIDA-UHFFFAOYSA-N
XLogP3.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
CID 114664967
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664544
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
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-propylpentan-1-amine
CID 105043059
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypropyl]hydrazine
CID 105222964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole (CID 114665364) is 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Br)c1CCC(C)Br.
What is the InChIKey of 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is FQMZTQSFKFRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O/c1-8(11)3-4-10-9(12)7-13-14(10)5-6-15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole?
4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 340.06 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 114665364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).