4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole

C10H15BrN2O2 — CID 164547290

IUPAC4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole
SMILESCC1(C)OCC(CCn2cc(Br)cn2)O1
InChIInChI=1S/C10H15BrN2O2/c1-10(2)14-7-9(15-10)3-4-13-6-8(11)5-12-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHVNNZOHBENXAQL-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.19
Rot. Bonds3

About 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole

4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole (PubChem CID 164547290) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole
PubChem CID164547290
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole
SMILESCC1(C)OCC(CCn2cc(Br)cn2)O1
InChIInChI=1S/C10H15BrN2O2/c1-10(2)14-7-9(15-10)3-4-13-6-8(11)5-12-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHVNNZOHBENXAQL-UHFFFAOYSA-N
XLogP2.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole?
The IUPAC name of 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole (CID 164547290) is 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole?
The canonical SMILES for 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole is CC1(C)OCC(CCn2cc(Br)cn2)O1.
What is the InChIKey of 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole?
The InChIKey is HVNNZOHBENXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2)14-7-9(15-10)3-4-13-6-8(11)5-12-13/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole?
4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole has a molecular weight of 275.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazole is sourced from PubChem (CID 164547290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).