5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole

C9H4Cl2FN3O2 — CID 61394838

IUPAC5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H4Cl2FN3O2/c10-5-2-6(11)7(12)1-4(5)9-8(15(16)17)3-13-14-9/h1-3H,(H,13,14)
InChIKeyFGQCPZKDBHQBFE-UHFFFAOYSA-N
MW276.05 g/mol
LogP3.43
Rot. Bonds2

About 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole

5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole (PubChem CID 61394838) has the molecular formula C9H4Cl2FN3O2 and a molecular weight of 276.05 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole
PubChem CID61394838
Molecular FormulaC9H4Cl2FN3O2
Molecular Weight276.05 g/mol
Exact Mass274.97
IUPAC Name5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H4Cl2FN3O2/c10-5-2-6(11)7(12)1-4(5)9-8(15(16)17)3-13-14-9/h1-3H,(H,13,14)
InChIKeyFGQCPZKDBHQBFE-UHFFFAOYSA-N
XLogP3.43
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-nitro-1H-pyrazole
CID 18769507
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CID 10465141
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CID 131559689
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
2-chloro-3-fluoro-6-methyl-7-nitronaphthalene
CID 21366735
3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one
CID 60929393
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
1,4-difluoro-2,5-dinitrobenzene
CID 14951568

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole?
The IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole (CID 61394838) is 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole?
The canonical SMILES for 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1-c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole?
The InChIKey is FGQCPZKDBHQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3O2/c10-5-2-6(11)7(12)1-4(5)9-8(15(16)17)3-13-14-9/h1-3H,(H,13,14).
What are the key properties of 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole?
5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole has a molecular weight of 276.05 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole is sourced from PubChem (CID 61394838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).