5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole

C20H19Cl3N2 — CID 71583401

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole
SMILESCCCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H19Cl3N2/c1-2-3-4-5-17-13-20(14-6-8-15(21)9-7-14)25(24-17)19-11-10-16(22)12-18(19)23/h6-13H,2-5H2,1H3
InChIKeyZYWWZDGUSITUPO-UHFFFAOYSA-N
MW393.75 g/mol
LogP7.23
Rot. Bonds6

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole (PubChem CID 71583401) has the molecular formula C20H19Cl3N2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole
PubChem CID71583401
Molecular FormulaC20H19Cl3N2
Molecular Weight393.75 g/mol
Exact Mass392.06
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole
SMILESCCCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H19Cl3N2/c1-2-3-4-5-17-13-20(14-6-8-15(21)9-7-14)25(24-17)19-11-10-16(22)12-18(19)23/h6-13H,2-5H2,1H3
InChIKeyZYWWZDGUSITUPO-UHFFFAOYSA-N
XLogP7.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole (CID 71583401) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole is CCCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole?
The InChIKey is ZYWWZDGUSITUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2/c1-2-3-4-5-17-13-20(14-6-8-15(21)9-7-14)25(24-17)19-11-10-16(22)12-18(19)23/h6-13H,2-5H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole has a molecular weight of 393.75 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pentylpyrazole is sourced from PubChem (CID 71583401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).