4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole

C20H29ClN2O2 — CID 6482603

IUPAC4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(CCCCCCOc2ccc(OC)cc2Cl)c1C
InChIInChI=1S/C20H29ClN2O2/c1-5-23-16(3)18(15(2)22-23)10-8-6-7-9-13-25-20-12-11-17(24-4)14-19(20)21/h11-12,14H,5-10,13H2,1-4H3
InChIKeyWBDXLKGXXQFLLC-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.36
Rot. Bonds10

About 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole

4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole (PubChem CID 6482603) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole
PubChem CID6482603
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(CCCCCCOc2ccc(OC)cc2Cl)c1C
InChIInChI=1S/C20H29ClN2O2/c1-5-23-16(3)18(15(2)22-23)10-8-6-7-9-13-25-20-12-11-17(24-4)14-19(20)21/h11-12,14H,5-10,13H2,1-4H3
InChIKeyWBDXLKGXXQFLLC-UHFFFAOYSA-N
XLogP5.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9880521
2-[4-(2,3-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9945346
2-[4-(2-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9965939
2-(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(4-pentoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 56965178
4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole
CID 155447
4-[4-(2-chloro-4-methoxy-phenoxy)butyl]-3,5-diethyl-1H-pyrazole
CID 6482598
4-[5-(2-chloro-4-methoxy-phenoxy)pentyl]-3,5-diethyl-1H-pyrazole
CID 6482599
4-[7-(2-chloro-4-methoxy-phenoxy)heptyl]-3,5-diethyl-1H-pyrazole
CID 6482600
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
CID 6482601
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-1,3,5-trimethyl-pyrazole
CID 6482602
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-dimethyl-1-propyl-pyrazole
CID 6482604
1-Butyl-4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-dimethyl-pyrazole
CID 6482605

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole (CID 6482603) is 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole is CCn1nc(C)c(CCCCCCOc2ccc(OC)cc2Cl)c1C.
What is the InChIKey of 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole?
The InChIKey is WBDXLKGXXQFLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-5-23-16(3)18(15(2)22-23)10-8-6-7-9-13-25-20-12-11-17(24-4)14-19(20)21/h11-12,14H,5-10,13H2,1-4H3.
What are the key properties of 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole?
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole has a molecular weight of 364.92 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 6482603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).