4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole

C11H15BrN4O — CID 107089254

IUPAC4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
SMILESCCn1cc(Oc2c(CBr)c(C)nn2C)cn1
InChIInChI=1S/C11H15BrN4O/c1-4-16-7-9(6-13-16)17-11-10(5-12)8(2)14-15(11)3/h6-7H,4-5H2,1-3H3
InChIKeyBIJJOVHLQRMXOX-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.63
Rot. Bonds4

About 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole

4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole (PubChem CID 107089254) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
PubChem CID107089254
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
SMILESCCn1cc(Oc2c(CBr)c(C)nn2C)cn1
InChIInChI=1S/C11H15BrN4O/c1-4-16-7-9(6-13-16)17-11-10(5-12)8(2)14-15(11)3/h6-7H,4-5H2,1-3H3
InChIKeyBIJJOVHLQRMXOX-UHFFFAOYSA-N
XLogP2.63
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
4-(bromomethyl)-5-(4-iodophenoxy)-1,3-dimethylpyrazole
CID 107087513
4-(bromomethyl)-5-(3,4-difluorophenoxy)-1,3-dimethylpyrazole
CID 107087762
4-(bromomethyl)-5-(3-ethylphenoxy)-1,3-dimethylpyrazole
CID 107086346
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
CID 116804551
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(bromomethyl)-5-(3-bromo-5-nitrophenoxy)-1,3-dimethylpyrazole
CID 107089480
1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
CID 116792438
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
4-(bromomethyl)-5-(1-bromonaphthalen-2-yl)oxy-1,3-dimethylpyrazole
CID 107087932

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole?
The IUPAC name of 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole (CID 107089254) is 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole?
The canonical SMILES for 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole is CCn1cc(Oc2c(CBr)c(C)nn2C)cn1.
What is the InChIKey of 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole?
The InChIKey is BIJJOVHLQRMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-4-16-7-9(6-13-16)17-11-10(5-12)8(2)14-15(11)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole?
4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole has a molecular weight of 299.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole is sourced from PubChem (CID 107089254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).