5-bromo-3-(methoxymethyl)-1-methylpyrazole

C6H9BrN2O — CID 105456952

IUPAC5-bromo-3-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1cc(Br)n(C)n1
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)3-5(8-9)4-10-2/h3H,4H2,1-2H3
InChIKeyOEEZGEVPBVOZAV-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.33
Rot. Bonds2

About 5-bromo-3-(methoxymethyl)-1-methylpyrazole

5-bromo-3-(methoxymethyl)-1-methylpyrazole (PubChem CID 105456952) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-3-(methoxymethyl)-1-methylpyrazole
PubChem CID105456952
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name5-bromo-3-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1cc(Br)n(C)n1
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)3-5(8-9)4-10-2/h3H,4H2,1-2H3
InChIKeyOEEZGEVPBVOZAV-UHFFFAOYSA-N
XLogP1.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(methoxymethyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
CID 83852151
[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid
CID 170902310
1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
CID 170286805
3-(5-bromo-1-methylpyrazol-3-yl)propanoic acid
CID 84726762
2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid
CID 155128520
5-bromo-3-iodo-1-methylpyrazole
CID 155821264
5-bromo-3-chloro-1-methylpyrazole
CID 84666517
tert-butyl N-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]carbamate
CID 155286322
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419
4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
CID 117104956
4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethyl)-1-methylpyrazole?
The IUPAC name of 5-bromo-3-(methoxymethyl)-1-methylpyrazole (CID 105456952) is 5-bromo-3-(methoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 5-bromo-3-(methoxymethyl)-1-methylpyrazole?
The canonical SMILES for 5-bromo-3-(methoxymethyl)-1-methylpyrazole is COCc1cc(Br)n(C)n1.
What is the InChIKey of 5-bromo-3-(methoxymethyl)-1-methylpyrazole?
The InChIKey is OEEZGEVPBVOZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-9-6(7)3-5(8-9)4-10-2/h3H,4H2,1-2H3.
What are the key properties of 5-bromo-3-(methoxymethyl)-1-methylpyrazole?
5-bromo-3-(methoxymethyl)-1-methylpyrazole has a molecular weight of 205.05 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 105456952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).