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

C9H5BrClFN2 — CID 61395047

IUPAC4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2Br)cc1Cl
InChIInChI=1S/C9H5BrClFN2/c10-6-4-13-14-9(6)5-1-2-8(12)7(11)3-5/h1-4H,(H,13,14)
InChIKeyUEHZJAOLAUDKCO-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.63
Rot. Bonds1

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

4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole (PubChem CID 61395047) has the molecular formula C9H5BrClFN2 and a molecular weight of 275.51 g/mol. Its IUPAC name is 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole
PubChem CID61395047
Molecular FormulaC9H5BrClFN2
Molecular Weight275.51 g/mol
Exact Mass273.93
IUPAC Name4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2Br)cc1Cl
InChIInChI=1S/C9H5BrClFN2/c10-6-4-13-14-9(6)5-1-2-8(12)7(11)3-5/h1-4H,(H,13,14)
InChIKeyUEHZJAOLAUDKCO-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole (CID 61395047) is 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2[nH]ncc2Br)cc1Cl.
What is the InChIKey of 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole?
The InChIKey is UEHZJAOLAUDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2/c10-6-4-13-14-9(6)5-1-2-8(12)7(11)3-5/h1-4H,(H,13,14).
What are the key properties of 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole?
4-bromo-5-(3-chloro-4-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 4-bromo-5-(3-chloro-4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 61395047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).