4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole

C9H13BrN2O2 — CID 102607214

IUPAC4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole
SMILESCc1nn(C)c(COC2COC2)c1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-9(10)8(12(2)11-6)5-14-7-3-13-4-7/h7H,3-5H2,1-2H3
InChIKeyNJYVNRRMJQOGSU-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.41
Rot. Bonds3

About 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole

4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole (PubChem CID 102607214) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole
PubChem CID102607214
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole
SMILESCc1nn(C)c(COC2COC2)c1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-9(10)8(12(2)11-6)5-14-7-3-13-4-7/h7H,3-5H2,1-2H3
InChIKeyNJYVNRRMJQOGSU-UHFFFAOYSA-N
XLogP1.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole 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

4-[(4-Bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol
CID 142591110
4-Bromo-3-(2,2-difluoropent-4-enoxymethyl)-1,5-dimethylpyrazole
CID 142591122
4-[(4-Bromo-1,5-dimethylpyrazol-3-yl)methoxy]-2,2-difluorobutan-1-ol
CID 142591278
4-[(4-Bromo-1,5-dimethylpyrazol-3-yl)methoxy]-2,2,3,3-tetrafluorobutan-1-ol
CID 142591292
4-Bromo-1,3-dimethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65860509
4-Bromo-1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65871974
4-Bromo-3-ethyl-1-methyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65877505
4-Bromo-1,3-diethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
CID 66276780
4-Bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
CID 66277214
4-Bromo-3-ethyl-1-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
CID 66277422
4-Bromo-1,3-dimethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
CID 66277639
4-Bromo-5-(2,2-difluoroethoxymethyl)-1-ethyl-3-methylpyrazole
CID 82006805

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole?
The IUPAC name of 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole (CID 102607214) is 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole.
What is the SMILES notation for 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole?
The canonical SMILES for 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole is Cc1nn(C)c(COC2COC2)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole?
The InChIKey is NJYVNRRMJQOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6-9(10)8(12(2)11-6)5-14-7-3-13-4-7/h7H,3-5H2,1-2H3.
What are the key properties of 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole?
4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole has a molecular weight of 261.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole is sourced from PubChem (CID 102607214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).