2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol

C22H33ClN2O3 — CID 6482610

IUPAC2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C22H33ClN2O3/c1-4-20-18(21(5-2)25(24-20)13-14-26)10-8-6-7-9-15-28-22-12-11-17(27-3)16-19(22)23/h11-12,16,26H,4-10,13-15H2,1-3H3
InChIKeyLAUWCFLUKHHDMQ-UHFFFAOYSA-N
MW408.97 g/mol
LogP4.84
Rot. Bonds13

About 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol

2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol (PubChem CID 6482610) has the molecular formula C22H33ClN2O3 and a molecular weight of 408.97 g/mol. Its IUPAC name is 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol
PubChem CID6482610
Molecular FormulaC22H33ClN2O3
Molecular Weight408.97 g/mol
Exact Mass408.22
IUPAC Name2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C22H33ClN2O3/c1-4-20-18(21(5-2)25(24-20)13-14-26)10-8-6-7-9-15-28-22-12-11-17(27-3)16-19(22)23/h11-12,16,26H,4-10,13-15H2,1-3H3
InChIKeyLAUWCFLUKHHDMQ-UHFFFAOYSA-N
XLogP4.84
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-benzonitrile
CID 21949909
2-[4-(3-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900767
2-[4-(3,5-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9967239
2-[4-(3,5-Dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol
CID 52945857
1-[[1-[(2-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4840815
2-[4-(2,5-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9880521
2-[4-(2,6-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9902000
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
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-1,3,5-trimethyl-pyrazole
CID 6482602
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-1-ethyl-3,5-dimethyl-pyrazole
CID 6482603
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-dimethyl-1-propyl-pyrazole
CID 6482604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol (CID 6482610) is 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol is CCc1nn(CCO)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl.
What is the InChIKey of 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol?
The InChIKey is LAUWCFLUKHHDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O3/c1-4-20-18(21(5-2)25(24-20)13-14-26)10-8-6-7-9-15-28-22-12-11-17(27-3)16-19(22)23/h11-12,16,26H,4-10,13-15H2,1-3H3.
What are the key properties of 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol?
2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol has a molecular weight of 408.97 g/mol, XLogP of 4.84, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 6482610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).