1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine

C13H16N6O4 — CID 15563781

IUPAC1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine
SMILESCN(C)c1cc(N(C)C)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H16N6O4/c1-15(2)12-8-13(16(3)4)17(14-12)10-6-5-9(18(20)21)7-11(10)19(22)23/h5-8H,1-4H3
InChIKeyNRJSSVHMFNZFAS-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.82
Rot. Bonds5

About 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine

1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine (PubChem CID 15563781) has the molecular formula C13H16N6O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine
PubChem CID15563781
Molecular FormulaC13H16N6O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC Name1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine
SMILESCN(C)c1cc(N(C)C)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H16N6O4/c1-15(2)12-8-13(16(3)4)17(14-12)10-6-5-9(18(20)21)7-11(10)19(22)23/h5-8H,1-4H3
InChIKeyNRJSSVHMFNZFAS-UHFFFAOYSA-N
XLogP1.82
TPSA110.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dinitrophenyl)-3,5-dinitropyrazole
CID 163214713
3,5-ditert-butyl-1-(2,4-dinitrophenyl)-4-methylpyrazole
CID 102571886
1-(2,4-dinitrophenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 5050034
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323
1-(2,4-dinitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 3857701
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
CID 9029813
diethyl 4,12-bis(2,4-dinitrophenyl)-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene-6,10-dicarboxylate
CID 5211636
4-(chloromethyl)-2-(2,4-dinitrophenyl)-5-nitrotriazole
CID 5065708
(3S,5S)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperidine
CID 7275416
2-(2,4-dinitrophenyl)-7,8-dimethoxyphthalazin-1-one
CID 4749953

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine?
The IUPAC name of 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine (CID 15563781) is 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine?
The canonical SMILES for 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine is CN(C)c1cc(N(C)C)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1.
What is the InChIKey of 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine?
The InChIKey is NRJSSVHMFNZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O4/c1-15(2)12-8-13(16(3)4)17(14-12)10-6-5-9(18(20)21)7-11(10)19(22)23/h5-8H,1-4H3.
What are the key properties of 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine?
1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine has a molecular weight of 320.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinitrophenyl)-3-N,3-N,5-N,5-N-tetramethylpyrazole-3,5-diamine is sourced from PubChem (CID 15563781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).