methyl (5-methyl-1H-pyrazol-3-yl) carbonate

C6H8N2O3 — CID 23224073

IUPACmethyl (5-methyl-1H-pyrazol-3-yl) carbonate
SMILESCOC(=O)Oc1cc(C)[nH]n1
InChIInChI=1S/C6H8N2O3/c1-4-3-5(8-7-4)11-6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKeyRABDYUKOIYKYOA-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.86
Rot. Bonds1

About methyl (5-methyl-1H-pyrazol-3-yl) carbonate

methyl (5-methyl-1H-pyrazol-3-yl) carbonate (PubChem CID 23224073) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl (5-methyl-1H-pyrazol-3-yl) carbonate.

Molecular Properties

Compound Namemethyl (5-methyl-1H-pyrazol-3-yl) carbonate
PubChem CID23224073
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Namemethyl (5-methyl-1H-pyrazol-3-yl) carbonate
SMILESCOC(=O)Oc1cc(C)[nH]n1
InChIInChI=1S/C6H8N2O3/c1-4-3-5(8-7-4)11-6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKeyRABDYUKOIYKYOA-UHFFFAOYSA-N
XLogP0.86
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (5-methyl-1H-pyrazol-3-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (5-methyl-1H-pyrazol-3-yl) carbonate?
The IUPAC name of methyl (5-methyl-1H-pyrazol-3-yl) carbonate (CID 23224073) is methyl (5-methyl-1H-pyrazol-3-yl) carbonate.
What is the SMILES notation for methyl (5-methyl-1H-pyrazol-3-yl) carbonate?
The canonical SMILES for methyl (5-methyl-1H-pyrazol-3-yl) carbonate is COC(=O)Oc1cc(C)[nH]n1.
What is the InChIKey of methyl (5-methyl-1H-pyrazol-3-yl) carbonate?
The InChIKey is RABDYUKOIYKYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-3-5(8-7-4)11-6(9)10-2/h3H,1-2H3,(H,7,8).
What are the key properties of methyl (5-methyl-1H-pyrazol-3-yl) carbonate?
methyl (5-methyl-1H-pyrazol-3-yl) carbonate has a molecular weight of 156.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-methyl-1H-pyrazol-3-yl) carbonate is sourced from PubChem (CID 23224073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).