4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline

C15H20N6O2 — CID 3776314

IUPAC4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=N/c2nn(C)c(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+
InChIKeyCBTVICGCXKAORE-WUKNDPDISA-N
MW316.37 g/mol
LogP3.90
Rot. Bonds6

About 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline

4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline (PubChem CID 3776314) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline
PubChem CID3776314
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=N/c2nn(C)c(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+
InChIKeyCBTVICGCXKAORE-WUKNDPDISA-N
XLogP3.90
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline (CID 3776314) is 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/N=N/c2nn(C)c(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline?
The InChIKey is CBTVICGCXKAORE-WUKNDPDISA-N. The full InChI is InChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+.
What are the key properties of 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline?
4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline has a molecular weight of 316.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-4-nitropyrazol-3-yl)diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 3776314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).