5-(3-bromopropyl)-4-methoxy-1-methylpyrazole

C8H13BrN2O — CID 114665346

IUPAC5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
SMILESCOc1cnn(C)c1CCCBr
InChIInChI=1S/C8H13BrN2O/c1-11-7(4-3-5-9)8(12-2)6-10-11/h6H,3-5H2,1-2H3
InChIKeyHPLQBHAYOBONBB-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.76
Rot. Bonds4

About 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole

5-(3-bromopropyl)-4-methoxy-1-methylpyrazole (PubChem CID 114665346) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
PubChem CID114665346
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
SMILESCOc1cnn(C)c1CCCBr
InChIInChI=1S/C8H13BrN2O/c1-11-7(4-3-5-9)8(12-2)6-10-11/h6H,3-5H2,1-2H3
InChIKeyHPLQBHAYOBONBB-UHFFFAOYSA-N
XLogP1.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.76
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

4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
5-(3-bromo-4-methylpentyl)-4-methoxy-1-methylpyrazole
CID 114665460
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole
CID 114665520
4-methoxy-1-methyl-5-(oxiran-2-ylmethyl)pyrazole
CID 114667613
5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114664432
5-(3-bromopropyl)-2-methoxy-1,3-thiazole
CID 130593249
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole?
The IUPAC name of 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole (CID 114665346) is 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole.
What is the SMILES notation for 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole?
The canonical SMILES for 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole is COc1cnn(C)c1CCCBr.
What is the InChIKey of 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole?
The InChIKey is HPLQBHAYOBONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-11-7(4-3-5-9)8(12-2)6-10-11/h6H,3-5H2,1-2H3.
What are the key properties of 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole?
5-(3-bromopropyl)-4-methoxy-1-methylpyrazole has a molecular weight of 233.11 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)-4-methoxy-1-methylpyrazole is sourced from PubChem (CID 114665346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).