5-(4-fluorophenyl)-4-nitro-1H-pyrazole

C9H6FN3O2 — CID 61394725

IUPAC5-(4-fluorophenyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C9H6FN3O2/c10-7-3-1-6(2-4-7)9-8(13(14)15)5-11-12-9/h1-5H,(H,11,12)
InChIKeyNENDUVVZEONMMZ-UHFFFAOYSA-N
MW207.16 g/mol
LogP2.12
Rot. Bonds2

About 5-(4-fluorophenyl)-4-nitro-1H-pyrazole

5-(4-fluorophenyl)-4-nitro-1H-pyrazole (PubChem CID 61394725) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-nitro-1H-pyrazole
PubChem CID61394725
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name5-(4-fluorophenyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C9H6FN3O2/c10-7-3-1-6(2-4-7)9-8(13(14)15)5-11-12-9/h1-5H,(H,11,12)
InChIKeyNENDUVVZEONMMZ-UHFFFAOYSA-N
XLogP2.12
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

7-Nitroindazole
CID 1893
3-(4-Nitrophenyl)-1H-pyrazole
CID 2737071
3-(3-nitrophenyl)-1H-pyrazole
CID 2737070
4-(3-nitrophenyl)-1H-1,2,3-triazole
CID 21723626
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691
3-(2,4-dinitrophenyl)-4-nitro-5-(trifluoromethyl)-1H-pyrazole
CID 9974946
3-phenyl-1H-pyrazol-4-amine
CID 12327105
3-(3-fluorophenyl)-1H-pyrazole
CID 2774736
4-({4-nitrobenzylidene}amino)-3-methyl-1H-pyrazole
CID 904093
4-Pyridazinamine, 5-nitro-3-phenyl-
CID 6414679
4-Nitro-3-(4-nitro-phenyl)-5-trifluoromethyl-1H-pyrazole
CID 44379586
4-Nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 15323369

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-nitro-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-4-nitro-1H-pyrazole (CID 61394725) is 5-(4-fluorophenyl)-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-nitro-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-nitro-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-nitro-1H-pyrazole?
The InChIKey is NENDUVVZEONMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-7-3-1-6(2-4-7)9-8(13(14)15)5-11-12-9/h1-5H,(H,11,12).
What are the key properties of 5-(4-fluorophenyl)-4-nitro-1H-pyrazole?
5-(4-fluorophenyl)-4-nitro-1H-pyrazole has a molecular weight of 207.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-nitro-1H-pyrazole is sourced from PubChem (CID 61394725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).