5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole

C9H14N2O — CID 123262161

IUPAC5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole
SMILESC=C(C)Cn1nccc1COC
InChIInChI=1S/C9H14N2O/c1-8(2)6-11-9(7-12-3)4-5-10-11/h4-5H,1,6-7H2,2-3H3
InChIKeyOUYFRMCYPMNGGS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.61
Rot. Bonds4

About 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole

5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole (PubChem CID 123262161) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole
PubChem CID123262161
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole
SMILESC=C(C)Cn1nccc1COC
InChIInChI=1S/C9H14N2O/c1-8(2)6-11-9(7-12-3)4-5-10-11/h4-5H,1,6-7H2,2-3H3
InChIKeyOUYFRMCYPMNGGS-UHFFFAOYSA-N
XLogP1.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole (CID 123262161) is 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole is C=C(C)Cn1nccc1COC.
What is the InChIKey of 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole?
The InChIKey is OUYFRMCYPMNGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(2)6-11-9(7-12-3)4-5-10-11/h4-5H,1,6-7H2,2-3H3.
What are the key properties of 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole?
5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(2-methylprop-2-enyl)pyrazole is sourced from PubChem (CID 123262161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).