3,4-dideuterio-4,5-dimethylpyrazole

C5H8N2 — CID 164668143

IUPAC3,4-dideuterio-4,5-dimethylpyrazole
SMILES[2H]C1=NN=C(C)C1([2H])C
InChIInChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3/i3D,4D
InChIKeyPOTDAVQTNXRHSF-NMQOAUCRSA-N
MW98.15 g/mol
LogP1.08
Rot. Bonds

About 3,4-dideuterio-4,5-dimethylpyrazole

3,4-dideuterio-4,5-dimethylpyrazole (PubChem CID 164668143) has the molecular formula C5H8N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3,4-dideuterio-4,5-dimethylpyrazole.

Molecular Properties

Compound Name3,4-dideuterio-4,5-dimethylpyrazole
PubChem CID164668143
Molecular FormulaC5H8N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3,4-dideuterio-4,5-dimethylpyrazole
SMILES[2H]C1=NN=C(C)C1([2H])C
InChIInChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3/i3D,4D
InChIKeyPOTDAVQTNXRHSF-NMQOAUCRSA-N
XLogP1.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dideuterio-4,5-dimethylpyrazole?
The IUPAC name of 3,4-dideuterio-4,5-dimethylpyrazole (CID 164668143) is 3,4-dideuterio-4,5-dimethylpyrazole.
What is the SMILES notation for 3,4-dideuterio-4,5-dimethylpyrazole?
The canonical SMILES for 3,4-dideuterio-4,5-dimethylpyrazole is [2H]C1=NN=C(C)C1([2H])C.
What is the InChIKey of 3,4-dideuterio-4,5-dimethylpyrazole?
The InChIKey is POTDAVQTNXRHSF-NMQOAUCRSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3/i3D,4D.
What are the key properties of 3,4-dideuterio-4,5-dimethylpyrazole?
3,4-dideuterio-4,5-dimethylpyrazole has a molecular weight of 98.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-4,5-dimethylpyrazole is sourced from PubChem (CID 164668143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).