5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole

C11H8Cl3N3O2 — CID 66020319

IUPAC5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
SMILESCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H8Cl3N3O2/c1-2-8-10(17(18)19)11(14)16(15-8)9-4-3-6(12)5-7(9)13/h3-5H,2H2,1H3
InChIKeyPPEUIFFLBDKSIW-UHFFFAOYSA-N
MW320.56 g/mol
LogP4.30
Rot. Bonds3

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

5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole (PubChem CID 66020319) has the molecular formula C11H8Cl3N3O2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole.

Molecular Properties

Compound Name5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
PubChem CID66020319
Molecular FormulaC11H8Cl3N3O2
Molecular Weight320.56 g/mol
Exact Mass318.97
IUPAC Name5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
SMILESCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H8Cl3N3O2/c1-2-8-10(17(18)19)11(14)16(15-8)9-4-3-6(12)5-7(9)13/h3-5H,2H2,1H3
InChIKeyPPEUIFFLBDKSIW-UHFFFAOYSA-N
XLogP4.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole?
The IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole (CID 66020319) is 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole.
What is the SMILES notation for 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole?
The canonical SMILES for 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole is CCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole?
The InChIKey is PPEUIFFLBDKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O2/c1-2-8-10(17(18)19)11(14)16(15-8)9-4-3-6(12)5-7(9)13/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole?
5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole has a molecular weight of 320.56 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole is sourced from PubChem (CID 66020319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).