4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole

C9H5BrF2N2 — CID 139299055

IUPAC4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole
SMILESFc1cc(Br)c(-c2cn[nH]c2)cc1F
InChIInChI=1S/C9H5BrF2N2/c10-7-2-9(12)8(11)1-6(7)5-3-13-14-4-5/h1-4H,(H,13,14)
InChIKeyNZDVTPIJHUSXGB-UHFFFAOYSA-N
MW259.05 g/mol
LogP3.12
Rot. Bonds1

About 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole

4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole (PubChem CID 139299055) has the molecular formula C9H5BrF2N2 and a molecular weight of 259.05 g/mol. Its IUPAC name is 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole
PubChem CID139299055
Molecular FormulaC9H5BrF2N2
Molecular Weight259.05 g/mol
Exact Mass257.96
IUPAC Name4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole
SMILESFc1cc(Br)c(-c2cn[nH]c2)cc1F
InChIInChI=1S/C9H5BrF2N2/c10-7-2-9(12)8(11)1-6(7)5-3-13-14-4-5/h1-4H,(H,13,14)
InChIKeyNZDVTPIJHUSXGB-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 53.12
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 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole?
The IUPAC name of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole (CID 139299055) is 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole is Fc1cc(Br)c(-c2cn[nH]c2)cc1F.
What is the InChIKey of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole?
The InChIKey is NZDVTPIJHUSXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2/c10-7-2-9(12)8(11)1-6(7)5-3-13-14-4-5/h1-4H,(H,13,14).
What are the key properties of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole?
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole has a molecular weight of 259.05 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole is sourced from PubChem (CID 139299055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).