N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine

C20H16N4O2 — CID 631299

IUPACN-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine
SMILESCc1ccc(Nc2cc([N+](=O)[O-])cc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2/c1-14-7-9-15(10-8-14)22-19-11-17(24(25)26)12-20-18(19)13-21-23(20)16-5-3-2-4-6-16/h2-13,22H,1H3
InChIKeyJZKYQNDRBQNODH-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.99
Rot. Bonds4

About N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine

N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine (PubChem CID 631299) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine
PubChem CID631299
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine
SMILESCc1ccc(Nc2cc([N+](=O)[O-])cc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2/c1-14-7-9-15(10-8-14)22-19-11-17(24(25)26)12-20-18(19)13-21-23(20)16-5-3-2-4-6-16/h2-13,22H,1H3
InChIKeyJZKYQNDRBQNODH-UHFFFAOYSA-N
XLogP4.99
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine (CID 631299) is N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine is Cc1ccc(Nc2cc([N+](=O)[O-])cc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine?
The InChIKey is JZKYQNDRBQNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-7-9-15(10-8-14)22-19-11-17(24(25)26)12-20-18(19)13-21-23(20)16-5-3-2-4-6-16/h2-13,22H,1H3.
What are the key properties of N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine?
N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine has a molecular weight of 344.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-nitro-1-phenylindazol-4-amine is sourced from PubChem (CID 631299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).