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'}

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Related Compounds

N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201
5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 131946110
1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
CID 131930286
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131908366
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
CID 131907349
N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 121442678
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanamine
CID 97281572
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310

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).