1-(4-methoxyphenyl)-4-methylpyrazole

C11H12N2O — CID 53415700

IUPAC1-(4-methoxyphenyl)-4-methylpyrazole
SMILESCOc1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C11H12N2O/c1-9-7-12-13(8-9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3
InChIKeyRJKUIBLCDHBGSA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.19
Rot. Bonds2

About 1-(4-methoxyphenyl)-4-methylpyrazole

1-(4-methoxyphenyl)-4-methylpyrazole (PubChem CID 53415700) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methylpyrazole
PubChem CID53415700
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(4-methoxyphenyl)-4-methylpyrazole
SMILESCOc1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C11H12N2O/c1-9-7-12-13(8-9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3
InChIKeyRJKUIBLCDHBGSA-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-4-methylpyrazole (CID 53415700) is 1-(4-methoxyphenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methylpyrazole is COc1ccc(-n2cc(C)cn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methylpyrazole?
The InChIKey is RJKUIBLCDHBGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-7-12-13(8-9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methylpyrazole?
1-(4-methoxyphenyl)-4-methylpyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methylpyrazole is sourced from PubChem (CID 53415700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).