N-(2-iodoethyl)-2-pyrazol-1-ylethanamine

C7H12IN3 — CID 114505529

IUPACN-(2-iodoethyl)-2-pyrazol-1-ylethanamine
SMILESICCNCCn1cccn1
InChIInChI=1S/C7H12IN3/c8-2-4-9-5-7-11-6-1-3-10-11/h1,3,6,9H,2,4-5,7H2
InChIKeyKCCZMUIUDXRHFW-UHFFFAOYSA-N
MW265.10 g/mol
LogP0.91
Rot. Bonds5

About N-(2-iodoethyl)-2-pyrazol-1-ylethanamine

N-(2-iodoethyl)-2-pyrazol-1-ylethanamine (PubChem CID 114505529) has the molecular formula C7H12IN3 and a molecular weight of 265.10 g/mol. Its IUPAC name is N-(2-iodoethyl)-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-(2-iodoethyl)-2-pyrazol-1-ylethanamine
PubChem CID114505529
Molecular FormulaC7H12IN3
Molecular Weight265.10 g/mol
Exact Mass265.01
IUPAC NameN-(2-iodoethyl)-2-pyrazol-1-ylethanamine
SMILESICCNCCn1cccn1
InChIInChI=1S/C7H12IN3/c8-2-4-9-5-7-11-6-1-3-10-11/h1,3,6,9H,2,4-5,7H2
InChIKeyKCCZMUIUDXRHFW-UHFFFAOYSA-N
XLogP0.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-iodoethyl)-2-pyrazol-1-ylethanamine 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

N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
2-pyrazol-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615449
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
CID 106310344
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
CID 107165972

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-2-pyrazol-1-ylethanamine?
The IUPAC name of N-(2-iodoethyl)-2-pyrazol-1-ylethanamine (CID 114505529) is N-(2-iodoethyl)-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-(2-iodoethyl)-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-(2-iodoethyl)-2-pyrazol-1-ylethanamine is ICCNCCn1cccn1.
What is the InChIKey of N-(2-iodoethyl)-2-pyrazol-1-ylethanamine?
The InChIKey is KCCZMUIUDXRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN3/c8-2-4-9-5-7-11-6-1-3-10-11/h1,3,6,9H,2,4-5,7H2.
What are the key properties of N-(2-iodoethyl)-2-pyrazol-1-ylethanamine?
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine has a molecular weight of 265.10 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 114505529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).