4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate

C10H5F3N4O — CID 56599416

IUPAC4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate
SMILESN#[N+]c1c(C(F)(F)F)nn(-c2ccccc2)c1[O-]
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-7(15-14)9(18)17(16-8)6-4-2-1-3-5-6/h1-5H
InChIKeyOGCRTLLVSKGTAY-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.45
Rot. Bonds1

About 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate

4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate (PubChem CID 56599416) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate.

Molecular Properties

Compound Name4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate
PubChem CID56599416
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate
SMILESN#[N+]c1c(C(F)(F)F)nn(-c2ccccc2)c1[O-]
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-7(15-14)9(18)17(16-8)6-4-2-1-3-5-6/h1-5H
InChIKeyOGCRTLLVSKGTAY-UHFFFAOYSA-N
XLogP2.45
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate?
The IUPAC name of 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate (CID 56599416) is 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate.
What is the SMILES notation for 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate?
The canonical SMILES for 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate is N#[N+]c1c(C(F)(F)F)nn(-c2ccccc2)c1[O-].
What is the InChIKey of 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate?
The InChIKey is OGCRTLLVSKGTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)8-7(15-14)9(18)17(16-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate?
4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate has a molecular weight of 254.17 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazonio-1-phenyl-3-(trifluoromethyl)pyrazol-5-olate is sourced from PubChem (CID 56599416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).