1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine

C8H9N9O4 — CID 14568855

IUPAC1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(/N=N/Nc2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N9O4/c1-14-3-5(16(18)19)7(11-14)9-13-10-8-6(17(20)21)4-15(2)12-8/h3-4H,1-2H3,(H,9,10,11,12)
InChIKeyOPPDKQNPDFVTIL-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.08
Rot. Bonds5

About 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine

1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine (PubChem CID 14568855) has the molecular formula C8H9N9O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine
PubChem CID14568855
Molecular FormulaC8H9N9O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(/N=N/Nc2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C8H9N9O4/c1-14-3-5(16(18)19)7(11-14)9-13-10-8-6(17(20)21)4-15(2)12-8/h3-4H,1-2H3,(H,9,10,11,12)
InChIKeyOPPDKQNPDFVTIL-UHFFFAOYSA-N
XLogP1.08
TPSA158.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

1-methyl-4-nitro-3-nitrosopyrazole
CID 130375922
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
2-N,2-N,2-trimethyl-1-N-(1-methyl-4-nitropyrazol-3-yl)propane-1,2-diamine
CID 103079835
4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
CID 103079512
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
1-methyl-4-nitro-N-(oxan-4-yl)pyrazol-3-amine
CID 103079711
1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
CID 103079768
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine (CID 14568855) is 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine is Cn1cc([N+](=O)[O-])c(/N=N/Nc2nn(C)cc2[N+](=O)[O-])n1.
What is the InChIKey of 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine?
The InChIKey is OPPDKQNPDFVTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N9O4/c1-14-3-5(16(18)19)7(11-14)9-13-10-8-6(17(20)21)4-15(2)12-8/h3-4H,1-2H3,(H,9,10,11,12).
What are the key properties of 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine?
1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine has a molecular weight of 295.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine is sourced from PubChem (CID 14568855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).