5-(2,2,2-trideuterioethyl)-1H-pyrazole

C5H8N2 — CID 175719546

IUPAC5-(2,2,2-trideuterioethyl)-1H-pyrazole
SMILES[2H]C([2H])([2H])Cc1ccn[nH]1
InChIInChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)/i1D3
InChIKeyCBNLNXLAIMQSTR-FIBGUPNXSA-N
MW99.15 g/mol
LogP0.97
Rot. Bonds2

About 5-(2,2,2-trideuterioethyl)-1H-pyrazole

5-(2,2,2-trideuterioethyl)-1H-pyrazole (PubChem CID 175719546) has the molecular formula C5H8N2 and a molecular weight of 99.15 g/mol. Its IUPAC name is 5-(2,2,2-trideuterioethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2,2-trideuterioethyl)-1H-pyrazole
PubChem CID175719546
Molecular FormulaC5H8N2
Molecular Weight99.15 g/mol
Exact Mass99.09
IUPAC Name5-(2,2,2-trideuterioethyl)-1H-pyrazole
SMILES[2H]C([2H])([2H])Cc1ccn[nH]1
InChIInChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)/i1D3
InChIKeyCBNLNXLAIMQSTR-FIBGUPNXSA-N
XLogP0.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trideuterioethyl)-1H-pyrazole?
The IUPAC name of 5-(2,2,2-trideuterioethyl)-1H-pyrazole (CID 175719546) is 5-(2,2,2-trideuterioethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,2,2-trideuterioethyl)-1H-pyrazole?
The canonical SMILES for 5-(2,2,2-trideuterioethyl)-1H-pyrazole is [2H]C([2H])([2H])Cc1ccn[nH]1.
What is the InChIKey of 5-(2,2,2-trideuterioethyl)-1H-pyrazole?
The InChIKey is CBNLNXLAIMQSTR-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)/i1D3.
What are the key properties of 5-(2,2,2-trideuterioethyl)-1H-pyrazole?
5-(2,2,2-trideuterioethyl)-1H-pyrazole has a molecular weight of 99.15 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trideuterioethyl)-1H-pyrazole is sourced from PubChem (CID 175719546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).