4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole

C12H14N2O2 — CID 177250502

IUPAC4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
SMILESCOCOc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O2/c1-10-3-5-11(6-4-10)14-8-12(7-13-14)16-9-15-2/h3-8H,9H2,1-2H3
InChIKeyFEXUXLUZHRBHJL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.16
Rot. Bonds4

About 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole

4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole (PubChem CID 177250502) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
PubChem CID177250502
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
SMILESCOCOc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O2/c1-10-3-5-11(6-4-10)14-8-12(7-13-14)16-9-15-2/h3-8H,9H2,1-2H3
InChIKeyFEXUXLUZHRBHJL-UHFFFAOYSA-N
XLogP2.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole (CID 177250502) is 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole is COCOc1cnn(-c2ccc(C)cc2)c1.
What is the InChIKey of 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole?
The InChIKey is FEXUXLUZHRBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-10-3-5-11(6-4-10)14-8-12(7-13-14)16-9-15-2/h3-8H,9H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole?
4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole has a molecular weight of 218.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 177250502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).