5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole

C16H20Cl2N2 — CID 66048380

IUPAC5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
SMILESCCc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1
InChIInChI=1S/C16H20Cl2N2/c1-3-14-10-15(20(2)19-14)9-12(11-17)8-13-6-4-5-7-16(13)18/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyDYOORXOZSABSJH-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.28
Rot. Bonds6

About 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole (PubChem CID 66048380) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
PubChem CID66048380
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
SMILESCCc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1
InChIInChI=1S/C16H20Cl2N2/c1-3-14-10-15(20(2)19-14)9-12(11-17)8-13-6-4-5-7-16(13)18/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyDYOORXOZSABSJH-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 66050349
2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 66059308
5-[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66043765
5-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,3-dimethylpyrazole
CID 66051020
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
1-(3-chloro-2-fluorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-2-amine
CID 82787681
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole (CID 66048380) is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole is CCc1cc(CC(CCl)Cc2ccccc2Cl)n(C)n1.
What is the InChIKey of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole?
The InChIKey is DYOORXOZSABSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-3-14-10-15(20(2)19-14)9-12(11-17)8-13-6-4-5-7-16(13)18/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole?
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole has a molecular weight of 311.26 g/mol, XLogP of 4.28, 6 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]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 66048380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).