4-fluoro-1-(3-nitrophenyl)pyrazole

C9H6FN3O2 — CID 134957783

IUPAC4-fluoro-1-(3-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C9H6FN3O2/c10-7-5-11-12(6-7)8-2-1-3-9(4-8)13(14)15/h1-6H
InChIKeyHAGPQDVZKOBSFJ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.92
Rot. Bonds2

About 4-fluoro-1-(3-nitrophenyl)pyrazole

4-fluoro-1-(3-nitrophenyl)pyrazole (PubChem CID 134957783) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-fluoro-1-(3-nitrophenyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1-(3-nitrophenyl)pyrazole
PubChem CID134957783
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name4-fluoro-1-(3-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C9H6FN3O2/c10-7-5-11-12(6-7)8-2-1-3-9(4-8)13(14)15/h1-6H
InChIKeyHAGPQDVZKOBSFJ-UHFFFAOYSA-N
XLogP1.92
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.92
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'}

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Related Compounds

CID 154687621
CID 154687621
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2-bromo-3-[1-(3-nitrophenyl)pyrazol-4-yl]quinoxaline
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4-nitro-1-phenylpyrazole
CID 2755894
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CID 62719112
3-methyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 43324378
1-[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone
CID 135042738
4-bromo-1-(3-nitrophenyl)pyrazole-3-carboxylic acid
CID 116818685
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
1-(3-nitrophenyl)azetidine
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-nitrophenyl)pyrazole?
The IUPAC name of 4-fluoro-1-(3-nitrophenyl)pyrazole (CID 134957783) is 4-fluoro-1-(3-nitrophenyl)pyrazole.
What is the SMILES notation for 4-fluoro-1-(3-nitrophenyl)pyrazole?
The canonical SMILES for 4-fluoro-1-(3-nitrophenyl)pyrazole is O=[N+]([O-])c1cccc(-n2cc(F)cn2)c1.
What is the InChIKey of 4-fluoro-1-(3-nitrophenyl)pyrazole?
The InChIKey is HAGPQDVZKOBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-7-5-11-12(6-7)8-2-1-3-9(4-8)13(14)15/h1-6H.
What are the key properties of 4-fluoro-1-(3-nitrophenyl)pyrazole?
4-fluoro-1-(3-nitrophenyl)pyrazole has a molecular weight of 207.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-nitrophenyl)pyrazole is sourced from PubChem (CID 134957783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).