N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H16IN3 — CID 43254699

IUPACN-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccc(I)cc1
InChIInChI=1S/C14H16IN3/c1-18-14-4-2-3-13(12(14)9-16-18)17-11-7-5-10(15)6-8-11/h5-9,13,17H,2-4H2,1H3
InChIKeyAPOQJURLIDAMPX-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.51
Rot. Bonds2

About N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254699) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254699
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccc(I)cc1
InChIInChI=1S/C14H16IN3/c1-18-14-4-2-3-13(12(14)9-16-18)17-11-7-5-10(15)6-8-11/h5-9,13,17H,2-4H2,1H3
InChIKeyAPOQJURLIDAMPX-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-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-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43254699) is N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is APOQJURLIDAMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-18-14-4-2-3-13(12(14)9-16-18)17-11-7-5-10(15)6-8-11/h5-9,13,17H,2-4H2,1H3.
What are the key properties of N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).