5-(trideuteriomethoxy)-1H-pyrazole

C4H6N2O — CID 152646870

IUPAC5-(trideuteriomethoxy)-1H-pyrazole
SMILES[2H]C([2H])([2H])Oc1ccn[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)/i1D3
InChIKeyZGSNZVRXASCXRP-FIBGUPNXSA-N
MW101.12 g/mol
LogP0.42
Rot. Bonds2

About 5-(trideuteriomethoxy)-1H-pyrazole

5-(trideuteriomethoxy)-1H-pyrazole (PubChem CID 152646870) has the molecular formula C4H6N2O and a molecular weight of 101.12 g/mol. Its IUPAC name is 5-(trideuteriomethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(trideuteriomethoxy)-1H-pyrazole
PubChem CID152646870
Molecular FormulaC4H6N2O
Molecular Weight101.12 g/mol
Exact Mass101.07
IUPAC Name5-(trideuteriomethoxy)-1H-pyrazole
SMILES[2H]C([2H])([2H])Oc1ccn[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)/i1D3
InChIKeyZGSNZVRXASCXRP-FIBGUPNXSA-N
XLogP0.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(trideuteriomethoxy)-1H-pyrazole 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 5-(trideuteriomethoxy)-1H-pyrazole?
The IUPAC name of 5-(trideuteriomethoxy)-1H-pyrazole (CID 152646870) is 5-(trideuteriomethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(trideuteriomethoxy)-1H-pyrazole?
The canonical SMILES for 5-(trideuteriomethoxy)-1H-pyrazole is [2H]C([2H])([2H])Oc1ccn[nH]1.
What is the InChIKey of 5-(trideuteriomethoxy)-1H-pyrazole?
The InChIKey is ZGSNZVRXASCXRP-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)/i1D3.
What are the key properties of 5-(trideuteriomethoxy)-1H-pyrazole?
5-(trideuteriomethoxy)-1H-pyrazole has a molecular weight of 101.12 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trideuteriomethoxy)-1H-pyrazole is sourced from PubChem (CID 152646870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).