5-bromo-1H-pyrazole

C3H3BrN2 — CID 1201443

IUPAC5-bromo-1H-pyrazole
SMILESBrc1ccn[nH]1
InChIInChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyXHZWFUVEKDDQPF-UHFFFAOYSA-N
MW146.98 g/mol
LogP1.17
Rot. Bonds

About 5-bromo-1H-pyrazole

5-bromo-1H-pyrazole (PubChem CID 1201443) has the molecular formula C3H3BrN2 and a molecular weight of 146.98 g/mol. Its IUPAC name is 5-bromo-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-1H-pyrazole
PubChem CID1201443
Molecular FormulaC3H3BrN2
Molecular Weight146.98 g/mol
Exact Mass145.95
IUPAC Name5-bromo-1H-pyrazole
SMILESBrc1ccn[nH]1
InChIInChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyXHZWFUVEKDDQPF-UHFFFAOYSA-N
XLogP1.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.98
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazole?
The IUPAC name of 5-bromo-1H-pyrazole (CID 1201443) is 5-bromo-1H-pyrazole.
What is the SMILES notation for 5-bromo-1H-pyrazole?
The canonical SMILES for 5-bromo-1H-pyrazole is Brc1ccn[nH]1.
What is the InChIKey of 5-bromo-1H-pyrazole?
The InChIKey is XHZWFUVEKDDQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of 5-bromo-1H-pyrazole?
5-bromo-1H-pyrazole has a molecular weight of 146.98 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazole is sourced from PubChem (CID 1201443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).