5-(4-bromophenyl)-1H-pyrazole

C9H7BrN2 — CID 2735614

IUPAC5-(4-bromophenyl)-1H-pyrazole
SMILESBrc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKeyLXDGTEBHVOKDLE-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.84
Rot. Bonds1

About 5-(4-bromophenyl)-1H-pyrazole

5-(4-bromophenyl)-1H-pyrazole (PubChem CID 2735614) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1H-pyrazole
PubChem CID2735614
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-(4-bromophenyl)-1H-pyrazole
SMILESBrc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKeyLXDGTEBHVOKDLE-UHFFFAOYSA-N
XLogP2.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1H-pyrazole?
The IUPAC name of 5-(4-bromophenyl)-1H-pyrazole (CID 2735614) is 5-(4-bromophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-1H-pyrazole is Brc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1H-pyrazole?
The InChIKey is LXDGTEBHVOKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12).
What are the key properties of 5-(4-bromophenyl)-1H-pyrazole?
5-(4-bromophenyl)-1H-pyrazole has a molecular weight of 223.07 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1H-pyrazole is sourced from PubChem (CID 2735614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).