5-benzyl-3-bromo-1H-pyrazole

C10H9BrN2 — CID 151400606

IUPAC5-benzyl-3-bromo-1H-pyrazole
SMILESBrc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C10H9BrN2/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKeyOWKBFJKCFOIJJE-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.76
Rot. Bonds2

About 5-benzyl-3-bromo-1H-pyrazole

5-benzyl-3-bromo-1H-pyrazole (PubChem CID 151400606) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-benzyl-3-bromo-1H-pyrazole.

Molecular Properties

Compound Name5-benzyl-3-bromo-1H-pyrazole
PubChem CID151400606
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name5-benzyl-3-bromo-1H-pyrazole
SMILESBrc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C10H9BrN2/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKeyOWKBFJKCFOIJJE-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-bromo-1H-pyrazole?
The IUPAC name of 5-benzyl-3-bromo-1H-pyrazole (CID 151400606) is 5-benzyl-3-bromo-1H-pyrazole.
What is the SMILES notation for 5-benzyl-3-bromo-1H-pyrazole?
The canonical SMILES for 5-benzyl-3-bromo-1H-pyrazole is Brc1cc(Cc2ccccc2)[nH]n1.
What is the InChIKey of 5-benzyl-3-bromo-1H-pyrazole?
The InChIKey is OWKBFJKCFOIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13).
What are the key properties of 5-benzyl-3-bromo-1H-pyrazole?
5-benzyl-3-bromo-1H-pyrazole has a molecular weight of 237.10 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-bromo-1H-pyrazole is sourced from PubChem (CID 151400606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).