1-(2-fluoro-4-nitrophenyl)pyrazole

C9H6FN3O2 — CID 10703514

IUPAC1-(2-fluoro-4-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6FN3O2/c10-8-6-7(13(14)15)2-3-9(8)12-5-1-4-11-12/h1-6H
InChIKeyYNYHDGYGCYUVOE-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.92
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)pyrazole

1-(2-fluoro-4-nitrophenyl)pyrazole (PubChem CID 10703514) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)pyrazole
PubChem CID10703514
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name1-(2-fluoro-4-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6FN3O2/c10-8-6-7(13(14)15)2-3-9(8)12-5-1-4-11-12/h1-6H
InChIKeyYNYHDGYGCYUVOE-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

1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 132586316
2-chloro-N-[2-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 55818987
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
1-(2-fluoro-4-nitrophenyl)triazole-4-carbaldehyde
CID 66215024
1-(4-bromo-5-fluoro-2-nitrophenyl)pyrazole
CID 66109556
1-(2-fluoro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 58414461
[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
CID 174455739
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
CID 55993552
2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
CID 171574160
2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine
CID 177321353

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyrazole?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)pyrazole (CID 10703514) is 1-(2-fluoro-4-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)pyrazole?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)pyrazole is O=[N+]([O-])c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)pyrazole?
The InChIKey is YNYHDGYGCYUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-8-6-7(13(14)15)2-3-9(8)12-5-1-4-11-12/h1-6H.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)pyrazole?
1-(2-fluoro-4-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 1-(2-fluoro-4-nitrophenyl)pyrazole is sourced from PubChem (CID 10703514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).