3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole

C17H24N2O — CID 135066490

IUPAC3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
SMILESCCCCCCc1cc(-c2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-8-15-13-17(19(2)18-15)14-9-11-16(20-3)12-10-14/h9-13H,4-8H2,1-3H3
InChIKeyPLJKHEJBOOQXFC-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.22
Rot. Bonds7

About 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole

3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole (PubChem CID 135066490) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
PubChem CID135066490
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
SMILESCCCCCCc1cc(-c2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-8-15-13-17(19(2)18-15)14-9-11-16(20-3)12-10-14/h9-13H,4-8H2,1-3H3
InChIKeyPLJKHEJBOOQXFC-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.22
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-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159155
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
CID 93186327
6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
CID 68762162
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
3-isocyanato-5-(4-methoxyphenyl)-1-methylpyrazole
CID 83918297
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole (CID 135066490) is 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole is CCCCCCc1cc(-c2ccc(OC)cc2)n(C)n1.
What is the InChIKey of 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is PLJKHEJBOOQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-7-8-15-13-17(19(2)18-15)14-9-11-16(20-3)12-10-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole?
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 272.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 135066490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).