4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole

C10H15BrN2O — CID 130583419

IUPAC4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole
SMILESCCn1cc(C2CCC(CBr)O2)cn1
InChIInChI=1S/C10H15BrN2O/c1-2-13-7-8(6-12-13)10-4-3-9(5-11)14-10/h6-7,9-10H,2-5H2,1H3
InChIKeyYDCFFGSBKNZMNJ-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.52
Rot. Bonds3

About 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole

4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole (PubChem CID 130583419) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole
PubChem CID130583419
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole
SMILESCCn1cc(C2CCC(CBr)O2)cn1
InChIInChI=1S/C10H15BrN2O/c1-2-13-7-8(6-12-13)10-4-3-9(5-11)14-10/h6-7,9-10H,2-5H2,1H3
InChIKeyYDCFFGSBKNZMNJ-UHFFFAOYSA-N
XLogP2.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole?
The IUPAC name of 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole (CID 130583419) is 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole.
What is the SMILES notation for 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole?
The canonical SMILES for 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole is CCn1cc(C2CCC(CBr)O2)cn1.
What is the InChIKey of 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole?
The InChIKey is YDCFFGSBKNZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-13-7-8(6-12-13)10-4-3-9(5-11)14-10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole?
4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole has a molecular weight of 259.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole is sourced from PubChem (CID 130583419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).