1-(2,6-dideuteriophenyl)pyrazole

C9H8N2 — CID 24798843

IUPAC1-(2,6-dideuteriophenyl)pyrazole
SMILES[2H]c1cccc([2H])c1-n1cccn1
InChIInChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i5D,6D
InChIKeyWITMXBRCQWOZPX-KCZCTXNHSA-N
MW146.19 g/mol
LogP1.87
Rot. Bonds1

About 1-(2,6-dideuteriophenyl)pyrazole

1-(2,6-dideuteriophenyl)pyrazole (PubChem CID 24798843) has the molecular formula C9H8N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2,6-dideuteriophenyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dideuteriophenyl)pyrazole
PubChem CID24798843
Molecular FormulaC9H8N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-(2,6-dideuteriophenyl)pyrazole
SMILES[2H]c1cccc([2H])c1-n1cccn1
InChIInChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i5D,6D
InChIKeyWITMXBRCQWOZPX-KCZCTXNHSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dideuteriophenyl)pyrazole?
The IUPAC name of 1-(2,6-dideuteriophenyl)pyrazole (CID 24798843) is 1-(2,6-dideuteriophenyl)pyrazole.
What is the SMILES notation for 1-(2,6-dideuteriophenyl)pyrazole?
The canonical SMILES for 1-(2,6-dideuteriophenyl)pyrazole is [2H]c1cccc([2H])c1-n1cccn1.
What is the InChIKey of 1-(2,6-dideuteriophenyl)pyrazole?
The InChIKey is WITMXBRCQWOZPX-KCZCTXNHSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i5D,6D.
What are the key properties of 1-(2,6-dideuteriophenyl)pyrazole?
1-(2,6-dideuteriophenyl)pyrazole has a molecular weight of 146.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dideuteriophenyl)pyrazole is sourced from PubChem (CID 24798843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).