5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole

C17H22Cl2N2 — CID 66050345

IUPAC5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1cc(CC(CCl)Cc2ccccc2Cl)n(CC)n1
InChIInChI=1S/C17H22Cl2N2/c1-3-15-11-16(21(4-2)20-15)10-13(12-18)9-14-7-5-6-8-17(14)19/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyLUZZXXALKAGFPQ-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.76
Rot. Bonds7

About 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole (PubChem CID 66050345) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
PubChem CID66050345
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
SMILESCCc1cc(CC(CCl)Cc2ccccc2Cl)n(CC)n1
InChIInChI=1S/C17H22Cl2N2/c1-3-15-11-16(21(4-2)20-15)10-13(12-18)9-14-7-5-6-8-17(14)19/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyLUZZXXALKAGFPQ-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole?
The IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole (CID 66050345) is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole.
What is the SMILES notation for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole?
The canonical SMILES for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole is CCc1cc(CC(CCl)Cc2ccccc2Cl)n(CC)n1.
What is the InChIKey of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole?
The InChIKey is LUZZXXALKAGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2/c1-3-15-11-16(21(4-2)20-15)10-13(12-18)9-14-7-5-6-8-17(14)19/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole?
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole has a molecular weight of 325.28 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole is sourced from PubChem (CID 66050345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).