2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine

C8H14IN3 — CID 170122692

IUPAC2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCc1c(I)cnn1CCN(C)C
InChIInChI=1S/C8H14IN3/c1-7-8(9)6-10-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3
InChIKeyYRVOTHVXOIYERD-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine

2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 170122692) has the molecular formula C8H14IN3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID170122692
Molecular FormulaC8H14IN3
Molecular Weight279.12 g/mol
Exact Mass279.02
IUPAC Name2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCc1c(I)cnn1CCN(C)C
InChIInChI=1S/C8H14IN3/c1-7-8(9)6-10-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3
InChIKeyYRVOTHVXOIYERD-UHFFFAOYSA-N
XLogP1.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-methylpyrimidin-2-yl)methanone
CID 114642102
2-[4-(aminomethyl)-5-propan-2-ylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66439965
1-(cyclobutylmethyl)-4-iodo-5-methylpyrazole
CID 175686716
N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 72881553
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 105130468
2-[5-[amino-(1,5-dimethylpyrazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182391
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
[1-[2-(dimethylamino)ethyl]-5-ethylpyrazol-4-yl]methanol
CID 66438345
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
CID 115834242

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine (CID 170122692) is 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine is Cc1c(I)cnn1CCN(C)C.
What is the InChIKey of 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is YRVOTHVXOIYERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN3/c1-7-8(9)6-10-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine?
2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 279.12 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 170122692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).