5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole

C9H5BrClFN2 — CID 67683070

IUPAC5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole
SMILESFc1c(Br)cc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C9H5BrClFN2/c10-7-4-5(11)3-6(9(7)12)8-1-2-13-14-8/h1-4H,(H,13,14)
InChIKeyNOIFKGSXXQNKGN-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.63
Rot. Bonds1

About 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole

5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole (PubChem CID 67683070) has the molecular formula C9H5BrClFN2 and a molecular weight of 275.51 g/mol. Its IUPAC name is 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole
PubChem CID67683070
Molecular FormulaC9H5BrClFN2
Molecular Weight275.51 g/mol
Exact Mass273.93
IUPAC Name5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole
SMILESFc1c(Br)cc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C9H5BrClFN2/c10-7-4-5(11)3-6(9(7)12)8-1-2-13-14-8/h1-4H,(H,13,14)
InChIKeyNOIFKGSXXQNKGN-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole (CID 67683070) is 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole is Fc1c(Br)cc(Cl)cc1-c1ccn[nH]1.
What is the InChIKey of 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole?
The InChIKey is NOIFKGSXXQNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2/c10-7-4-5(11)3-6(9(7)12)8-1-2-13-14-8/h1-4H,(H,13,14).
What are the key properties of 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole?
5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole has a molecular weight of 275.51 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chloro-2-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 67683070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).