5-bromo-3-methoxy-1-methylpyrazole

C5H7BrN2O — CID 126993172

IUPAC5-bromo-3-methoxy-1-methylpyrazole
SMILESCOc1cc(Br)n(C)n1
InChIInChI=1S/C5H7BrN2O/c1-8-4(6)3-5(7-8)9-2/h3H,1-2H3
InChIKeyOWRBGKHPDUYOPK-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.19
Rot. Bonds1

About 5-bromo-3-methoxy-1-methylpyrazole

5-bromo-3-methoxy-1-methylpyrazole (PubChem CID 126993172) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-3-methoxy-1-methylpyrazole
PubChem CID126993172
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name5-bromo-3-methoxy-1-methylpyrazole
SMILESCOc1cc(Br)n(C)n1
InChIInChI=1S/C5H7BrN2O/c1-8-4(6)3-5(7-8)9-2/h3H,1-2H3
InChIKeyOWRBGKHPDUYOPK-UHFFFAOYSA-N
XLogP1.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1-methylpyrazole?
The IUPAC name of 5-bromo-3-methoxy-1-methylpyrazole (CID 126993172) is 5-bromo-3-methoxy-1-methylpyrazole.
What is the SMILES notation for 5-bromo-3-methoxy-1-methylpyrazole?
The canonical SMILES for 5-bromo-3-methoxy-1-methylpyrazole is COc1cc(Br)n(C)n1.
What is the InChIKey of 5-bromo-3-methoxy-1-methylpyrazole?
The InChIKey is OWRBGKHPDUYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-4(6)3-5(7-8)9-2/h3H,1-2H3.
What are the key properties of 5-bromo-3-methoxy-1-methylpyrazole?
5-bromo-3-methoxy-1-methylpyrazole has a molecular weight of 191.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1-methylpyrazole is sourced from PubChem (CID 126993172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).