5-(4-bromo-2-chlorophenyl)-1H-pyrazole

C9H6BrClN2 — CID 75470180

IUPAC5-(4-bromo-2-chlorophenyl)-1H-pyrazole
SMILESClc1cc(Br)ccc1-c1ccn[nH]1
InChIInChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyMXKFPDQKKOGZTO-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.49
Rot. Bonds1

About 5-(4-bromo-2-chlorophenyl)-1H-pyrazole

5-(4-bromo-2-chlorophenyl)-1H-pyrazole (PubChem CID 75470180) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-1H-pyrazole
PubChem CID75470180
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name5-(4-bromo-2-chlorophenyl)-1H-pyrazole
SMILESClc1cc(Br)ccc1-c1ccn[nH]1
InChIInChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyMXKFPDQKKOGZTO-UHFFFAOYSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-1H-pyrazole?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-1H-pyrazole (CID 75470180) is 5-(4-bromo-2-chlorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-1H-pyrazole is Clc1cc(Br)ccc1-c1ccn[nH]1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-1H-pyrazole?
The InChIKey is MXKFPDQKKOGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-1H-pyrazole?
5-(4-bromo-2-chlorophenyl)-1H-pyrazole has a molecular weight of 257.52 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-1H-pyrazole is sourced from PubChem (CID 75470180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).