4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine

C17H19N6+ — CID 137001065

IUPAC4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
SMILESCc1cccc(/N=N/c2cnn(Cc3cc[n+](C)cc3)c2N)c1
InChIInChI=1S/C17H19N6/c1-13-4-3-5-15(10-13)20-21-16-11-19-23(17(16)18)12-14-6-8-22(2)9-7-14/h3-11H,12,18H2,1-2H3/q+1/b21-20+
InChIKeyDWHIJLHGJJRKEC-QZQOTICOSA-N
MW307.38 g/mol
LogP3.06
Rot. Bonds4

About 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine

4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine (PubChem CID 137001065) has the molecular formula C17H19N6+ and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
PubChem CID137001065
Molecular FormulaC17H19N6+
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
SMILESCc1cccc(/N=N/c2cnn(Cc3cc[n+](C)cc3)c2N)c1
InChIInChI=1S/C17H19N6/c1-13-4-3-5-15(10-13)20-21-16-11-19-23(17(16)18)12-14-6-8-22(2)9-7-14/h3-11H,12,18H2,1-2H3/q+1/b21-20+
InChIKeyDWHIJLHGJJRKEC-QZQOTICOSA-N
XLogP3.06
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-2-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
CID 137001246
4-[(2-chlorophenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine chloride
CID 137001237
1-[(1-methylpyridin-1-ium-4-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine
CID 137001112
1-[(1-methylpyridin-1-ium-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine chloride
CID 137001213
1-[(1-methylpyridin-1-ium-3-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine
CID 137001105
4-[(2-methoxyphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-3-yl)methyl]pyrazol-5-amine chloride
CID 137001175
methyl 4-[[5-amino-1-(pyridin-3-ylmethyl)pyrazol-4-yl]diazenyl]benzoate
CID 137001122
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
4-[(2-methyl-3-phenylindolizin-4-ium-1-ylidene)amino]-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 58971111
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine (CID 137001065) is 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine is Cc1cccc(/N=N/c2cnn(Cc3cc[n+](C)cc3)c2N)c1.
What is the InChIKey of 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine?
The InChIKey is DWHIJLHGJJRKEC-QZQOTICOSA-N. The full InChI is InChI=1S/C17H19N6/c1-13-4-3-5-15(10-13)20-21-16-11-19-23(17(16)18)12-14-6-8-22(2)9-7-14/h3-11H,12,18H2,1-2H3/q+1/b21-20+.
What are the key properties of 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine?
4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine has a molecular weight of 307.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 137001065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).