2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C8H14IN3 — CID 118972141

IUPAC2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CN(C)CCI
InChIInChI=1S/C8H14IN3/c1-7-8(5-10-11-7)6-12(2)4-3-9/h5H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyHZOHMNYNBJLQQQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.58
Rot. Bonds4

About 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 118972141) has the molecular formula C8H14IN3 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID118972141
Molecular FormulaC8H14IN3
Molecular Weight279.13 g/mol
Exact Mass279.02
IUPAC Name2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CN(C)CCI
InChIInChI=1S/C8H14IN3/c1-7-8(5-10-11-7)6-12(2)4-3-9/h5H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyHZOHMNYNBJLQQQ-UHFFFAOYSA-N
XLogP1.58
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine 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 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 118972141) is 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1[nH]ncc1CN(C)CCI.
What is the InChIKey of 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is HZOHMNYNBJLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN3/c1-7-8(5-10-11-7)6-12(2)4-3-9/h5H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 279.13 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 118972141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).