3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole

C10H6Br2FN3O2 — CID 107350441

IUPAC3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole
SMILESO=[N+]([O-])c1cccc(Cn2nc(Br)cc2Br)c1F
InChIInChI=1S/C10H6Br2FN3O2/c11-8-4-9(12)15(14-8)5-6-2-1-3-7(10(6)13)16(17)18/h1-4H,5H2
InChIKeyRIWCMQQJMDMCME-UHFFFAOYSA-N
MW378.98 g/mol
LogP3.50
Rot. Bonds3

About 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole

3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole (PubChem CID 107350441) has the molecular formula C10H6Br2FN3O2 and a molecular weight of 378.98 g/mol. Its IUPAC name is 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole
PubChem CID107350441
Molecular FormulaC10H6Br2FN3O2
Molecular Weight378.98 g/mol
Exact Mass376.88
IUPAC Name3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole
SMILESO=[N+]([O-])c1cccc(Cn2nc(Br)cc2Br)c1F
InChIInChI=1S/C10H6Br2FN3O2/c11-8-4-9(12)15(14-8)5-6-2-1-3-7(10(6)13)16(17)18/h1-4H,5H2
InChIKeyRIWCMQQJMDMCME-UHFFFAOYSA-N
XLogP3.50
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.98
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dibromo-1-[(4-bromo-2-nitrophenyl)methyl]pyrazole
CID 114692795
1-[(2-fluoro-3-nitrophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 107348570
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
4-(chloromethyl)-1-[(2-fluoro-3-nitrophenyl)methyl]-3,5-dimethylpyrazole
CID 107350414
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
CID 114692670
CID 159928766
CID 159928766
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-3-carboxylic acid
CID 107349890
3-bromo-4-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107349431
4-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]-2,6-dimethylaniline
CID 107348904
2-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107348863
CID 167576969
CID 167576969

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole (CID 107350441) is 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole is O=[N+]([O-])c1cccc(Cn2nc(Br)cc2Br)c1F.
What is the InChIKey of 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole?
The InChIKey is RIWCMQQJMDMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FN3O2/c11-8-4-9(12)15(14-8)5-6-2-1-3-7(10(6)13)16(17)18/h1-4H,5H2.
What are the key properties of 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole?
3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole has a molecular weight of 378.98 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole is sourced from PubChem (CID 107350441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).