5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole

C9H4BrCl2FN2 — CID 67683175

IUPAC5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole
SMILESFc1c(Br)cc(Cl)cc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H4BrCl2FN2/c10-6-2-4(11)1-5(8(6)13)9-7(12)3-14-15-9/h1-3H,(H,14,15)
InChIKeyJCVRSKJPPSBIOV-UHFFFAOYSA-N
MW309.95 g/mol
LogP4.29
Rot. Bonds1

About 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole

5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole (PubChem CID 67683175) has the molecular formula C9H4BrCl2FN2 and a molecular weight of 309.95 g/mol. Its IUPAC name is 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole.

Molecular Properties

Compound Name5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole
PubChem CID67683175
Molecular FormulaC9H4BrCl2FN2
Molecular Weight309.95 g/mol
Exact Mass307.89
IUPAC Name5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole
SMILESFc1c(Br)cc(Cl)cc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H4BrCl2FN2/c10-6-2-4(11)1-5(8(6)13)9-7(12)3-14-15-9/h1-3H,(H,14,15)
InChIKeyJCVRSKJPPSBIOV-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole?
The IUPAC name of 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole (CID 67683175) is 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole.
What is the SMILES notation for 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole?
The canonical SMILES for 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole is Fc1c(Br)cc(Cl)cc1-c1[nH]ncc1Cl.
What is the InChIKey of 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole?
The InChIKey is JCVRSKJPPSBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2FN2/c10-6-2-4(11)1-5(8(6)13)9-7(12)3-14-15-9/h1-3H,(H,14,15).
What are the key properties of 5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole?
5-(3-bromo-5-chloro-2-fluorophenyl)-4-chloro-1H-pyrazole has a molecular weight of 309.95 g/mol, XLogP of 4.29, 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)-4-chloro-1H-pyrazole is sourced from PubChem (CID 67683175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).