1-[methoxy(phenyl)methyl]pyrazole

C11H12N2O — CID 91244891

IUPAC1-[methoxy(phenyl)methyl]pyrazole
SMILESCOC(c1ccccc1)n1cccn1
InChIInChI=1S/C11H12N2O/c1-14-11(13-9-5-8-12-13)10-6-3-2-4-7-10/h2-9,11H,1H3
InChIKeyIKUKGIZTMJPNKW-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.08
Rot. Bonds3

About 1-[methoxy(phenyl)methyl]pyrazole

1-[methoxy(phenyl)methyl]pyrazole (PubChem CID 91244891) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[methoxy(phenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[methoxy(phenyl)methyl]pyrazole
PubChem CID91244891
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-[methoxy(phenyl)methyl]pyrazole
SMILESCOC(c1ccccc1)n1cccn1
InChIInChI=1S/C11H12N2O/c1-14-11(13-9-5-8-12-13)10-6-3-2-4-7-10/h2-9,11H,1H3
InChIKeyIKUKGIZTMJPNKW-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenyl)methyl]pyrazole?
The IUPAC name of 1-[methoxy(phenyl)methyl]pyrazole (CID 91244891) is 1-[methoxy(phenyl)methyl]pyrazole.
What is the SMILES notation for 1-[methoxy(phenyl)methyl]pyrazole?
The canonical SMILES for 1-[methoxy(phenyl)methyl]pyrazole is COC(c1ccccc1)n1cccn1.
What is the InChIKey of 1-[methoxy(phenyl)methyl]pyrazole?
The InChIKey is IKUKGIZTMJPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-11(13-9-5-8-12-13)10-6-3-2-4-7-10/h2-9,11H,1H3.
What are the key properties of 1-[methoxy(phenyl)methyl]pyrazole?
1-[methoxy(phenyl)methyl]pyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenyl)methyl]pyrazole is sourced from PubChem (CID 91244891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).