1-(4-hexoxyphenyl)pyrazole

C15H20N2O — CID 67650161

IUPAC1-(4-hexoxyphenyl)pyrazole
SMILESCCCCCCOc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-13-18-15-9-7-14(8-10-15)17-12-6-11-16-17/h6-12H,2-5,13H2,1H3
InChIKeyFKKBHOMHEBXTHK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.83
Rot. Bonds7

About 1-(4-hexoxyphenyl)pyrazole

1-(4-hexoxyphenyl)pyrazole (PubChem CID 67650161) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)pyrazole
PubChem CID67650161
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(4-hexoxyphenyl)pyrazole
SMILESCCCCCCOc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-13-18-15-9-7-14(8-10-15)17-12-6-11-16-17/h6-12H,2-5,13H2,1H3
InChIKeyFKKBHOMHEBXTHK-UHFFFAOYSA-N
XLogP3.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
2,4,6-tris[1-(4-decoxyphenyl)triazol-4-yl]-1,3,5-triazine
CID 101498920
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
pentoxybenzene;undecane
CID 174778179
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 97127127
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
2,2,4,4,6,6-hexakis(4-dodecoxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 101164150
4-pentoxypyridine
CID 23560340

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)pyrazole?
The IUPAC name of 1-(4-hexoxyphenyl)pyrazole (CID 67650161) is 1-(4-hexoxyphenyl)pyrazole.
What is the SMILES notation for 1-(4-hexoxyphenyl)pyrazole?
The canonical SMILES for 1-(4-hexoxyphenyl)pyrazole is CCCCCCOc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)pyrazole?
The InChIKey is FKKBHOMHEBXTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-13-18-15-9-7-14(8-10-15)17-12-6-11-16-17/h6-12H,2-5,13H2,1H3.
What are the key properties of 1-(4-hexoxyphenyl)pyrazole?
1-(4-hexoxyphenyl)pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)pyrazole is sourced from PubChem (CID 67650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).