5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole

C12H14N2O2 — CID 141381468

IUPAC5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
SMILESCOc1ccc(COc2ccnn2C)cc1
InChIInChI=1S/C12H14N2O2/c1-14-12(7-8-13-14)16-9-10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyIUOZYYJLWWOULH-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.01
Rot. Bonds4

About 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole

5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole (PubChem CID 141381468) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
PubChem CID141381468
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
SMILESCOc1ccc(COc2ccnn2C)cc1
InChIInChI=1S/C12H14N2O2/c1-14-12(7-8-13-14)16-9-10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyIUOZYYJLWWOULH-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole (CID 141381468) is 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole is COc1ccc(COc2ccnn2C)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole?
The InChIKey is IUOZYYJLWWOULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-12(7-8-13-14)16-9-10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole?
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole has a molecular weight of 218.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 141381468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).