4-fluoro-5-(4-nitrophenyl)-1H-pyrazole

C9H6FN3O2 — CID 86052941

IUPAC4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2[nH]ncc2F)cc1
InChIInChI=1S/C9H6FN3O2/c10-8-5-11-12-9(8)6-1-3-7(4-2-6)13(14)15/h1-5H,(H,11,12)
InChIKeyJCGGHJBFBOEIHH-UHFFFAOYSA-N
MW207.16 g/mol
LogP2.12
Rot. Bonds2

About 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole

4-fluoro-5-(4-nitrophenyl)-1H-pyrazole (PubChem CID 86052941) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
PubChem CID86052941
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2[nH]ncc2F)cc1
InChIInChI=1S/C9H6FN3O2/c10-8-5-11-12-9(8)6-1-3-7(4-2-6)13(14)15/h1-5H,(H,11,12)
InChIKeyJCGGHJBFBOEIHH-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

5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
[5-(4-nitrophenyl)-1H-pyrazol-4-yl] acetate
CID 91540328
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 141335946
trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
CID 71489515
3-(4-nitrophenyl)-1H-1,2,4-triazin-6-one
CID 70248032
carbonic acid;4-(4-nitrophenyl)-2H-triazole
CID 175214454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole?
The IUPAC name of 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole (CID 86052941) is 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole is O=[N+]([O-])c1ccc(-c2[nH]ncc2F)cc1.
What is the InChIKey of 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole?
The InChIKey is JCGGHJBFBOEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-8-5-11-12-9(8)6-1-3-7(4-2-6)13(14)15/h1-5H,(H,11,12).
What are the key properties of 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole?
4-fluoro-5-(4-nitrophenyl)-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 4-fluoro-5-(4-nitrophenyl)-1H-pyrazole is sourced from PubChem (CID 86052941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).