N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide

C20H16N6O3 — CID 54404313

IUPACN'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide
SMILESO=C(NNc1ccc(Nc2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C20H16N6O3/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)24-23-16-11-9-15(10-12-16)22-14-5-2-1-3-6-14/h1-13,22-23H,(H,24,27)
InChIKeyVPOWPYSGOOZEPQ-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.27
Rot. Bonds5

About N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide

N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide (PubChem CID 54404313) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide
PubChem CID54404313
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide
SMILESO=C(NNc1ccc(Nc2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C20H16N6O3/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)24-23-16-11-9-15(10-12-16)22-14-5-2-1-3-6-14/h1-13,22-23H,(H,24,27)
InChIKeyVPOWPYSGOOZEPQ-UHFFFAOYSA-N
XLogP4.27
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluoro-4-nitro-phenyl)methyl]-3-(1H-indazol-5-yl)urea
CID 73351928
N-hexyl-N-methyl-6-nitroindazole-1-carboxamide
CID 12285833
N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine
CID 60932257
1-[(E)-[1-(4-methylphenyl)-3-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]-3-phenylurea
CID 172453421
N-phenyl-1H-indazole-1-carboxamide
CID 53006427
Urea, 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)-
CID 4574694
N-[(4-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoylamino]indazole-1-carboxamide
CID 68250629
3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide
CID 173167822
4-(2-Fluoro-4-iodoanilino)indazole-1-carboxamide
CID 173551662
Methyl 4-[(6-fluoro-2,3-dihydroindol-1-yl)carbamoylamino]indazole-1-carboxylate
CID 177730900
Indazol-4-amine, 6-nitro-1,N-diphenyl-
CID 630249
1H-Indazol-4-amine, N-(4-methylphenyl)-6-nitro-1-phenyl-
CID 631299

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide?
The IUPAC name of N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide (CID 54404313) is N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide.
What is the SMILES notation for N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide?
The canonical SMILES for N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide is O=C(NNc1ccc(Nc2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21.
What is the InChIKey of N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide?
The InChIKey is VPOWPYSGOOZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)24-23-16-11-9-15(10-12-16)22-14-5-2-1-3-6-14/h1-13,22-23H,(H,24,27).
What are the key properties of N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide?
N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide has a molecular weight of 388.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilinophenyl)-4-nitroindazole-1-carbohydrazide is sourced from PubChem (CID 54404313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).