4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole

C11H16Cl2N2 — CID 79603685

IUPAC4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC=CCCCl
InChIInChI=1S/C11H16Cl2N2/c1-3-15-10(7-5-4-6-8-12)11(13)9(2)14-15/h4-5H,3,6-8H2,1-2H3
InChIKeyUOYDUALUZFQIBQ-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.59
Rot. Bonds5

About 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole

4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole (PubChem CID 79603685) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
PubChem CID79603685
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC=CCCCl
InChIInChI=1S/C11H16Cl2N2/c1-3-15-10(7-5-4-6-8-12)11(13)9(2)14-15/h4-5H,3,6-8H2,1-2H3
InChIKeyUOYDUALUZFQIBQ-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole
CID 79603940
4-chloro-5-(5-chloro-2-methylpent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79602947
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 79591588
5-(3-bromo-2,2-dimethylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 66048622
5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107205022
5-[2,2-bis(chloromethyl)pentyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79448143
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103862
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
5-[2-(bromomethyl)-2-methylbut-3-enyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 102642292
1-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpentan-3-amine
CID 106353832
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole (CID 79603685) is 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Cl)c1CC=CCCCl.
What is the InChIKey of 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole?
The InChIKey is UOYDUALUZFQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-3-15-10(7-5-4-6-8-12)11(13)9(2)14-15/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole?
4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole has a molecular weight of 247.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 79603685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).