5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium

C18H16N5O2+ — CID 10568626

IUPAC5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
SMILESCOc1ccc(-n2nc(C)c([N+]#N)c2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c1-12-16(21-19)17(20-18(24)13-6-4-3-5-7-13)23(22-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3/p+1
InChIKeyCIZVLEFSSDJLSI-UHFFFAOYSA-O
MW334.36 g/mol
LogP3.93
Rot. Bonds4

About 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium

5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium (PubChem CID 10568626) has the molecular formula C18H16N5O2+ and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium.

Molecular Properties

Compound Name5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
PubChem CID10568626
Molecular FormulaC18H16N5O2+
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
SMILESCOc1ccc(-n2nc(C)c([N+]#N)c2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c1-12-16(21-19)17(20-18(24)13-6-4-3-5-7-13)23(22-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3/p+1
InChIKeyCIZVLEFSSDJLSI-UHFFFAOYSA-O
XLogP3.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
CID 10833066
N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 11883815
N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2035296
4-methoxy-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5111017
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109
N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2030297
3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883784
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863869
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 5077987
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium?
The IUPAC name of 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium (CID 10568626) is 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium.
What is the SMILES notation for 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium?
The canonical SMILES for 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium is COc1ccc(-n2nc(C)c([N+]#N)c2NC(=O)c2ccccc2)cc1.
What is the InChIKey of 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium?
The InChIKey is CIZVLEFSSDJLSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15N5O2/c1-12-16(21-19)17(20-18(24)13-6-4-3-5-7-13)23(22-12)14-8-10-15(25-2)11-9-14/h3-11H,1-2H3/p+1.
What are the key properties of 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium?
5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium has a molecular weight of 334.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium is sourced from PubChem (CID 10568626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).