4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole

C17H23FN2O — CID 2238066

IUPAC4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCCCCOc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-13-17(14(2)20-19-13)7-5-3-4-6-12-21-16-10-8-15(18)9-11-16/h8-11H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyTUCBVMHWXIMSDD-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.35
Rot. Bonds8

About 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole

4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 2238066) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
PubChem CID2238066
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCCCCOc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-13-17(14(2)20-19-13)7-5-3-4-6-12-21-16-10-8-15(18)9-11-16/h8-11H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyTUCBVMHWXIMSDD-UHFFFAOYSA-N
XLogP4.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole
CID 2058016
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
3,5-dimethyl-4-[4-(4-nitrophenoxy)butyl]-1H-pyrazole
CID 2237961
CID 16187655
CID 16187655
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070785
3-[(3,5-diethyl-1H-pyrazol-4-yl)oxy]benzonitrile
CID 9813536

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole (CID 2238066) is 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCCCCCOc1ccc(F)cc1.
What is the InChIKey of 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is TUCBVMHWXIMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-13-17(14(2)20-19-13)7-5-3-4-6-12-21-16-10-8-15(18)9-11-16/h8-11H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole?
4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 290.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2238066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).