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

C15H20N2O2 — CID 143189554

IUPAC3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole
SMILESCCCCOc1cc(C)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N2O2/c1-4-5-10-19-15-11-12(2)17(16-15)13-6-8-14(18-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyHTGWLNPGQJAEGZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.37
Rot. Bonds6

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

3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole (PubChem CID 143189554) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole.

Molecular Properties

Compound Name3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole
PubChem CID143189554
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole
SMILESCCCCOc1cc(C)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N2O2/c1-4-5-10-19-15-11-12(2)17(16-15)13-6-8-14(18-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyHTGWLNPGQJAEGZ-UHFFFAOYSA-N
XLogP3.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole?
The IUPAC name of 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole (CID 143189554) is 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole.
What is the SMILES notation for 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole?
The canonical SMILES for 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole is CCCCOc1cc(C)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole?
The InChIKey is HTGWLNPGQJAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-5-10-19-15-11-12(2)17(16-15)13-6-8-14(18-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole?
3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole has a molecular weight of 260.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-(4-methoxyphenyl)-5-methylpyrazole is sourced from PubChem (CID 143189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).