4-diazonio-3-methyl-1-phenylpyrazol-5-olate

C10H8N4O — CID 549225

IUPAC4-diazonio-3-methyl-1-phenylpyrazol-5-olate
SMILESCc1nn(-c2ccccc2)c([O-])c1[N+]#N
InChIInChI=1S/C10H8N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyHCNUVPLRPLRUAW-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.74
Rot. Bonds1

About 4-diazonio-3-methyl-1-phenylpyrazol-5-olate

4-diazonio-3-methyl-1-phenylpyrazol-5-olate (PubChem CID 549225) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-diazonio-3-methyl-1-phenylpyrazol-5-olate.

Molecular Properties

Compound Name4-diazonio-3-methyl-1-phenylpyrazol-5-olate
PubChem CID549225
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-diazonio-3-methyl-1-phenylpyrazol-5-olate
SMILESCc1nn(-c2ccccc2)c([O-])c1[N+]#N
InChIInChI=1S/C10H8N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyHCNUVPLRPLRUAW-UHFFFAOYSA-N
XLogP1.74
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-3-methyl-1-phenyl-1H-pyrazole
CID 13434128
1-Phenyl-3-methyl-5-(trifluoromethylsulfonyloxy)-1H-pyrazole
CID 12160754
3-Methoxy-5-methyl-1-phenyl-1H-pyrazole
CID 21766268
5-(Fluoromethoxy)-3-methyl-1-phenylpyrazole
CID 177853252
5-Methyl-2-phenylpyrazol-3-olate
CID 27882981
1-Phenyl-3-(trifluoromethyl)-4-diazo-2-pyrazoline-5-one
CID 56599416
4-Diazonio-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-olate
CID 121215667
1-(4-Bromophenyl)-4-diazonio-3-(trifluoromethyl)pyrazol-5-olate
CID 121215682
4-Diazonio-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-olate
CID 121223344
1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate
CID 113337
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1)
CID 113405
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, hydrogen sulfate (ester)
CID 156399

Frequently Asked Questions

What is the IUPAC name of 4-diazonio-3-methyl-1-phenylpyrazol-5-olate?
The IUPAC name of 4-diazonio-3-methyl-1-phenylpyrazol-5-olate (CID 549225) is 4-diazonio-3-methyl-1-phenylpyrazol-5-olate.
What is the SMILES notation for 4-diazonio-3-methyl-1-phenylpyrazol-5-olate?
The canonical SMILES for 4-diazonio-3-methyl-1-phenylpyrazol-5-olate is Cc1nn(-c2ccccc2)c([O-])c1[N+]#N.
What is the InChIKey of 4-diazonio-3-methyl-1-phenylpyrazol-5-olate?
The InChIKey is HCNUVPLRPLRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-diazonio-3-methyl-1-phenylpyrazol-5-olate?
4-diazonio-3-methyl-1-phenylpyrazol-5-olate has a molecular weight of 200.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazonio-3-methyl-1-phenylpyrazol-5-olate is sourced from PubChem (CID 549225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).