(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene

C19H20N6O4 — CID 13112667

IUPAC(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2)C(C)(/N=N/c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C19H20N6O4/c1-13-18(2,3)19(4,22-20-14-5-7-16(8-6-14)24(26)27)23(21-13)15-9-11-17(12-10-15)25(28)29/h5-12H,1-4H3/b22-20+
InChIKeyWVZDUFILEGOEGM-LSDHQDQOSA-N
MW396.41 g/mol
LogP5.23
Rot. Bonds5

About (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene

(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene (PubChem CID 13112667) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene
PubChem CID13112667
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2)C(C)(/N=N/c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C19H20N6O4/c1-13-18(2,3)19(4,22-20-14-5-7-16(8-6-14)24(26)27)23(21-13)15-9-11-17(12-10-15)25(28)29/h5-12H,1-4H3/b22-20+
InChIKeyWVZDUFILEGOEGM-LSDHQDQOSA-N
XLogP5.23
TPSA126.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

3-tert-butyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 4588891
(3S)-5-tert-butyl-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7098310
(3R)-5-tert-butyl-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7098311
(2,4-Dinitrophenyl)-[2-(2,4-dinitrophenyl)-3,4,4,5-tetramethylpyrazol-3-yl]diazene
CID 13112668
Phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene
CID 13112669
5,6-dimethyl-2-(4-nitrophenyl)-3H-1,2,4-triazine
CID 15178777
3,5,5-trimethyl-1-(4-nitrophenyl)-6-nitroso-4H-pyridazine-6-carbonitrile
CID 101771548
CID 177600943
CID 177600943
CID 177634132
CID 177634132

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene?
The IUPAC name of (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene (CID 13112667) is (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene.
What is the SMILES notation for (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene?
The canonical SMILES for (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene is CC1=NN(c2ccc([N+](=O)[O-])cc2)C(C)(/N=N/c2ccc([N+](=O)[O-])cc2)C1(C)C.
What is the InChIKey of (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene?
The InChIKey is WVZDUFILEGOEGM-LSDHQDQOSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-13-18(2,3)19(4,22-20-14-5-7-16(8-6-14)24(26)27)23(21-13)15-9-11-17(12-10-15)25(28)29/h5-12H,1-4H3/b22-20+.
What are the key properties of (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene?
(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene has a molecular weight of 396.41 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene is sourced from PubChem (CID 13112667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).