1-(2-bromoethyl)-4-(methoxymethyl)pyrazole

C7H11BrN2O — CID 125478220

IUPAC1-(2-bromoethyl)-4-(methoxymethyl)pyrazole
SMILESCOCc1cnn(CCBr)c1
InChIInChI=1S/C7H11BrN2O/c1-11-6-7-4-9-10(5-7)3-2-8/h4-5H,2-3,6H2,1H3
InChIKeyFHVPXENXCNDPJQ-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.42
Rot. Bonds4

About 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole

1-(2-bromoethyl)-4-(methoxymethyl)pyrazole (PubChem CID 125478220) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(methoxymethyl)pyrazole
PubChem CID125478220
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name1-(2-bromoethyl)-4-(methoxymethyl)pyrazole
SMILESCOCc1cnn(CCBr)c1
InChIInChI=1S/C7H11BrN2O/c1-11-6-7-4-9-10(5-7)3-2-8/h4-5H,2-3,6H2,1H3
InChIKeyFHVPXENXCNDPJQ-UHFFFAOYSA-N
XLogP1.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.42
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-(2-methoxyethyl)pyrazol-4-yl]methanethiol
CID 155403637
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
1-(2-chloroethyl)-4-[[1-(2-chloroethyl)pyrazol-4-yl]methoxymethyl]pyrazole
CID 125492172
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 104567003
(1-propylpyrazol-4-yl)methyl methanesulfonate
CID 103572272
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
[1-(2-bromoethyl)pyrazol-4-yl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 90113573
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
3-bromo-2-(methoxymethyl)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818966
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole?
The IUPAC name of 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole (CID 125478220) is 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole?
The canonical SMILES for 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole is COCc1cnn(CCBr)c1.
What is the InChIKey of 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole?
The InChIKey is FHVPXENXCNDPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-11-6-7-4-9-10(5-7)3-2-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole?
1-(2-bromoethyl)-4-(methoxymethyl)pyrazole has a molecular weight of 219.08 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(methoxymethyl)pyrazole is sourced from PubChem (CID 125478220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).