5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole

C11H9ClFN3O2 — CID 66020322

IUPAC5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole
SMILESCCc1nn(-c2ccccc2F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9ClFN3O2/c1-2-8-10(16(17)18)11(12)15(14-8)9-6-4-3-5-7(9)13/h3-6H,2H2,1H3
InChIKeyNBUVPYKDDNIPIH-UHFFFAOYSA-N
MW269.66 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole

5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole (PubChem CID 66020322) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole
PubChem CID66020322
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole
SMILESCCc1nn(-c2ccccc2F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9ClFN3O2/c1-2-8-10(16(17)18)11(12)15(14-8)9-6-4-3-5-7(9)13/h3-6H,2H2,1H3
InChIKeyNBUVPYKDDNIPIH-UHFFFAOYSA-N
XLogP3.14
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 53.14
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

5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
CID 66020319
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
CID 82916010
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile
CID 63790371
1-[(2-bromophenyl)methyl]-5-chloro-3-ethyl-4-nitropyrazole
CID 66014509
5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 91231371
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
2-(5-chloro-4-nitro-3-propylpyrazol-1-yl)-1,3-benzothiazole
CID 66014520
1-(4-bromo-2-methylphenyl)-5-chloro-3-(2-methylpropyl)-4-nitropyrazole
CID 104509038
N-[(4-chlorophenyl)methyl]-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423548
5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-nitropyrazole
CID 66014317
5-chloro-3-ethyl-1-(3-methylbutyl)-4-nitropyrazole
CID 66020170
1-(3-fluoro-2-nitrophenyl)-3,4,5-trimethylpyrazole
CID 62690850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole (CID 66020322) is 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole is CCc1nn(-c2ccccc2F)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole?
The InChIKey is NBUVPYKDDNIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-2-8-10(16(17)18)11(12)15(14-8)9-6-4-3-5-7(9)13/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole?
5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole has a molecular weight of 269.66 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole is sourced from PubChem (CID 66020322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).