sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate

C23H17N2NaO2 — CID 23681628

IUPACsodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate
SMILESO=C([O-])Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.[Na+]
InChIInChI=1S/C23H18N2O2.Na/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19;/h1-15H,16H2,(H,26,27);/q;+1/p-1
InChIKeyHZDGXVPVSQMHTK-UHFFFAOYSA-M
MW376.39 g/mol
LogP0.50
Rot. Bonds5

About sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate

sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate (PubChem CID 23681628) has the molecular formula C23H17N2NaO2 and a molecular weight of 376.39 g/mol. Its IUPAC name is sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate
PubChem CID23681628
Molecular FormulaC23H17N2NaO2
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Namesodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate
SMILESO=C([O-])Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.[Na+]
InChIInChI=1S/C23H18N2O2.Na/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19;/h1-15H,16H2,(H,26,27);/q;+1/p-1
InChIKeyHZDGXVPVSQMHTK-UHFFFAOYSA-M
XLogP0.50
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate?
The IUPAC name of sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate (CID 23681628) is sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate.
What is the SMILES notation for sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate?
The canonical SMILES for sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate is O=C([O-])Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.[Na+].
What is the InChIKey of sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate?
The InChIKey is HZDGXVPVSQMHTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18N2O2.Na/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19;/h1-15H,16H2,(H,26,27);/q;+1/p-1.
What are the key properties of sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate?
sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate has a molecular weight of 376.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,4,5-triphenylpyrazol-3-yl)acetate is sourced from PubChem (CID 23681628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).