5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole

C12H12N2O3 — CID 162636292

IUPAC5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
SMILESCOc1cc2c(cc1-c1ccnn1C)OCO2
InChIInChI=1S/C12H12N2O3/c1-14-9(3-4-13-14)8-5-11-12(17-7-16-11)6-10(8)15-2/h3-6H,7H2,1-2H3
InChIKeyHZHULWRMXLZVEP-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.82
Rot. Bonds2

About 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole

5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole (PubChem CID 162636292) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
PubChem CID162636292
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
SMILESCOc1cc2c(cc1-c1ccnn1C)OCO2
InChIInChI=1S/C12H12N2O3/c1-14-9(3-4-13-14)8-5-11-12(17-7-16-11)6-10(8)15-2/h3-6H,7H2,1-2H3
InChIKeyHZHULWRMXLZVEP-UHFFFAOYSA-N
XLogP1.82
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
6-fluoro-3-(6-methoxy-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine
CID 157017620
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole?
The IUPAC name of 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole (CID 162636292) is 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole?
The canonical SMILES for 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole is COc1cc2c(cc1-c1ccnn1C)OCO2.
What is the InChIKey of 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole?
The InChIKey is HZHULWRMXLZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-9(3-4-13-14)8-5-11-12(17-7-16-11)6-10(8)15-2/h3-6H,7H2,1-2H3.
What are the key properties of 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole?
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole has a molecular weight of 232.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole is sourced from PubChem (CID 162636292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).