4-hexyl-1-(4-methoxyphenyl)pyrazole

C16H22N2O — CID 122206793

IUPAC4-hexyl-1-(4-methoxyphenyl)pyrazole
SMILESCCCCCCc1cnn(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H22N2O/c1-3-4-5-6-7-14-12-17-18(13-14)15-8-10-16(19-2)11-9-15/h8-13H,3-7H2,1-2H3
InChIKeyRFEOTSVLQAVKDL-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.00
Rot. Bonds7

About 4-hexyl-1-(4-methoxyphenyl)pyrazole

4-hexyl-1-(4-methoxyphenyl)pyrazole (PubChem CID 122206793) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-hexyl-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-hexyl-1-(4-methoxyphenyl)pyrazole
PubChem CID122206793
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-hexyl-1-(4-methoxyphenyl)pyrazole
SMILESCCCCCCc1cnn(-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H22N2O/c1-3-4-5-6-7-14-12-17-18(13-14)15-8-10-16(19-2)11-9-15/h8-13H,3-7H2,1-2H3
InChIKeyRFEOTSVLQAVKDL-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.00
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

2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
1-phenyl-4-propylpyrazole
CID 12902534
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
1-(4-hexylphenyl)-4-(methoxymethyl)triazole
CID 121373808
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
1-(4-butylphenyl)pyrazole-4-carbaldehyde
CID 26183395
2-(4-butylphenyl)-5-nonoxyindazole
CID 102016224

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 4-hexyl-1-(4-methoxyphenyl)pyrazole (CID 122206793) is 4-hexyl-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-hexyl-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 4-hexyl-1-(4-methoxyphenyl)pyrazole is CCCCCCc1cnn(-c2ccc(OC)cc2)c1.
What is the InChIKey of 4-hexyl-1-(4-methoxyphenyl)pyrazole?
The InChIKey is RFEOTSVLQAVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-12-17-18(13-14)15-8-10-16(19-2)11-9-15/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-hexyl-1-(4-methoxyphenyl)pyrazole?
4-hexyl-1-(4-methoxyphenyl)pyrazole has a molecular weight of 258.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 122206793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).