3,4-dimethoxy-5-methyl-1H-pyrazole

C6H10N2O2 — CID 105428343

IUPAC3,4-dimethoxy-5-methyl-1H-pyrazole
SMILESCOc1n[nH]c(C)c1OC
InChIInChI=1S/C6H10N2O2/c1-4-5(9-2)6(10-3)8-7-4/h1-3H3,(H,7,8)
InChIKeyADENSHBYBMWGNG-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.74
Rot. Bonds2

About 3,4-dimethoxy-5-methyl-1H-pyrazole

3,4-dimethoxy-5-methyl-1H-pyrazole (PubChem CID 105428343) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3,4-dimethoxy-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,4-dimethoxy-5-methyl-1H-pyrazole
PubChem CID105428343
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3,4-dimethoxy-5-methyl-1H-pyrazole
SMILESCOc1n[nH]c(C)c1OC
InChIInChI=1S/C6H10N2O2/c1-4-5(9-2)6(10-3)8-7-4/h1-3H3,(H,7,8)
InChIKeyADENSHBYBMWGNG-UHFFFAOYSA-N
XLogP0.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-methyl-1H-pyrazole?
The IUPAC name of 3,4-dimethoxy-5-methyl-1H-pyrazole (CID 105428343) is 3,4-dimethoxy-5-methyl-1H-pyrazole.
What is the SMILES notation for 3,4-dimethoxy-5-methyl-1H-pyrazole?
The canonical SMILES for 3,4-dimethoxy-5-methyl-1H-pyrazole is COc1n[nH]c(C)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-methyl-1H-pyrazole?
The InChIKey is ADENSHBYBMWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(9-2)6(10-3)8-7-4/h1-3H3,(H,7,8).
What are the key properties of 3,4-dimethoxy-5-methyl-1H-pyrazole?
3,4-dimethoxy-5-methyl-1H-pyrazole has a molecular weight of 142.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-methyl-1H-pyrazole is sourced from PubChem (CID 105428343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).