1,3,4,5-tetradeuteriopyrazole

C3H4N2 — CID 71309634

IUPAC1,3,4,5-tetradeuteriopyrazole
SMILES[2H]c1nn([2H])c([2H])c1[2H]
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
InChIKeyWTKZEGDFNFYCGP-MSWVZFBTSA-N
MW72.10 g/mol
LogP0.41
Rot. Bonds

About 1,3,4,5-tetradeuteriopyrazole

1,3,4,5-tetradeuteriopyrazole (PubChem CID 71309634) has the molecular formula C3H4N2 and a molecular weight of 72.10 g/mol. Its IUPAC name is 1,3,4,5-tetradeuteriopyrazole.

Molecular Properties

Compound Name1,3,4,5-tetradeuteriopyrazole
PubChem CID71309634
Molecular FormulaC3H4N2
Molecular Weight72.10 g/mol
Exact Mass72.06
IUPAC Name1,3,4,5-tetradeuteriopyrazole
SMILES[2H]c1nn([2H])c([2H])c1[2H]
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
InChIKeyWTKZEGDFNFYCGP-MSWVZFBTSA-N
XLogP0.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.10
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetradeuteriopyrazole?
The IUPAC name of 1,3,4,5-tetradeuteriopyrazole (CID 71309634) is 1,3,4,5-tetradeuteriopyrazole.
What is the SMILES notation for 1,3,4,5-tetradeuteriopyrazole?
The canonical SMILES for 1,3,4,5-tetradeuteriopyrazole is [2H]c1nn([2H])c([2H])c1[2H].
What is the InChIKey of 1,3,4,5-tetradeuteriopyrazole?
The InChIKey is WTKZEGDFNFYCGP-MSWVZFBTSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/i1D,2D,3D/hD.
What are the key properties of 1,3,4,5-tetradeuteriopyrazole?
1,3,4,5-tetradeuteriopyrazole has a molecular weight of 72.10 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetradeuteriopyrazole is sourced from PubChem (CID 71309634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).