3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride

C12H15ClN6O — CID 24844258

IUPAC3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1N=C(C)C(/N=N/c2cccc(C)c2)C1=O
InChIInChI=1S/C12H14N6O.ClH/c1-7-4-3-5-9(6-7)15-16-10-8(2)17-18(11(10)19)12(13)14;/h3-6,10H,1-2H3,(H3,13,14);1H/b16-15+;
InChIKeyUGAVRRSZPKVBPU-GEEYTBSJSA-N
MW294.75 g/mol
LogP1.98
Rot. Bonds2

About 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride

3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride (PubChem CID 24844258) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
PubChem CID24844258
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1N=C(C)C(/N=N/c2cccc(C)c2)C1=O
InChIInChI=1S/C12H14N6O.ClH/c1-7-4-3-5-9(6-7)15-16-10-8(2)17-18(11(10)19)12(13)14;/h3-6,10H,1-2H3,(H3,13,14);1H/b16-15+;
InChIKeyUGAVRRSZPKVBPU-GEEYTBSJSA-N
XLogP1.98
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride (CID 24844258) is 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1N=C(C)C(/N=N/c2cccc(C)c2)C1=O.
What is the InChIKey of 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is UGAVRRSZPKVBPU-GEEYTBSJSA-N. The full InChI is InChI=1S/C12H14N6O.ClH/c1-7-4-3-5-9(6-7)15-16-10-8(2)17-18(11(10)19)12(13)14;/h3-6,10H,1-2H3,(H3,13,14);1H/b16-15+;.
What are the key properties of 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride?
3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 24844258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).