4-bromo-1-(2-methoxyethyl)-3-methylpyrazole

C7H11BrN2O — CID 141450417

IUPAC4-bromo-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1cc(Br)c(C)n1
InChIInChI=1S/C7H11BrN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyWDJUKTJUDDAJLI-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.60
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole

4-bromo-1-(2-methoxyethyl)-3-methylpyrazole (PubChem CID 141450417) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)-3-methylpyrazole
PubChem CID141450417
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name4-bromo-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1cc(Br)c(C)n1
InChIInChI=1S/C7H11BrN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyWDJUKTJUDDAJLI-UHFFFAOYSA-N
XLogP1.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
CID 146412527
3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 171472470
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-amine
CID 165472982
4-bromo-1,3-dimethylpyrazole
CID 12615416
3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
CID 129275863
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
1-(2-methoxyethyl)-4-nitropyrazol-3-amine
CID 122604147
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 166350680

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole (CID 141450417) is 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole is COCCn1cc(Br)c(C)n1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole?
The InChIKey is WDJUKTJUDDAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole?
4-bromo-1-(2-methoxyethyl)-3-methylpyrazole has a molecular weight of 219.08 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)-3-methylpyrazole is sourced from PubChem (CID 141450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).