sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride

C9H8ClN2NaO — CID 175413943

IUPACsodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride
SMILESO=c1ccn(-c2ccc(Cl)cc2)[nH]1.[H-].[Na+]
InChIInChI=1S/C9H7ClN2O.Na.H/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;;/h1-6H,(H,11,13);;/q;+1;-1
InChIKeyAOSSOXPVILFUPP-UHFFFAOYSA-N
MW218.62 g/mol
LogP-1.06
Rot. Bonds1

About sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride

sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride (PubChem CID 175413943) has the molecular formula C9H8ClN2NaO and a molecular weight of 218.62 g/mol. Its IUPAC name is sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride.

Molecular Properties

Compound Namesodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride
PubChem CID175413943
Molecular FormulaC9H8ClN2NaO
Molecular Weight218.62 g/mol
Exact Mass218.02
IUPAC Namesodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride
SMILESO=c1ccn(-c2ccc(Cl)cc2)[nH]1.[H-].[Na+]
InChIInChI=1S/C9H7ClN2O.Na.H/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;;/h1-6H,(H,11,13);;/q;+1;-1
InChIKeyAOSSOXPVILFUPP-UHFFFAOYSA-N
XLogP-1.06
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride?
The IUPAC name of sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride (CID 175413943) is sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride.
What is the SMILES notation for sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride?
The canonical SMILES for sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride is O=c1ccn(-c2ccc(Cl)cc2)[nH]1.[H-].[Na+].
What is the InChIKey of sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride?
The InChIKey is AOSSOXPVILFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.Na.H/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;;/h1-6H,(H,11,13);;/q;+1;-1.
What are the key properties of sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride?
sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride has a molecular weight of 218.62 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride is sourced from PubChem (CID 175413943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).