1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole

C14H18N2O — CID 118236588

IUPAC1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole
SMILESCOc1ccc(-n2nc(C)c(C)c2C)cc1C
InChIInChI=1S/C14H18N2O/c1-9-8-13(6-7-14(9)17-5)16-12(4)10(2)11(3)15-16/h6-8H,1-5H3
InChIKeyZZRJZLYTYHVZHH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.11
Rot. Bonds2

About 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole

1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole (PubChem CID 118236588) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole
PubChem CID118236588
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole
SMILESCOc1ccc(-n2nc(C)c(C)c2C)cc1C
InChIInChI=1S/C14H18N2O/c1-9-8-13(6-7-14(9)17-5)16-12(4)10(2)11(3)15-16/h6-8H,1-5H3
InChIKeyZZRJZLYTYHVZHH-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole (CID 118236588) is 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole is COc1ccc(-n2nc(C)c(C)c2C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole?
The InChIKey is ZZRJZLYTYHVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-8-13(6-7-14(9)17-5)16-12(4)10(2)11(3)15-16/h6-8H,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole?
1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole is sourced from PubChem (CID 118236588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).