[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine

C13H17IN4O — CID 114277964

IUPAC[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
SMILESCOCCn1nccc1C(NN)c1ccc(I)cc1
InChIInChI=1S/C13H17IN4O/c1-19-9-8-18-12(6-7-16-18)13(17-15)10-2-4-11(14)5-3-10/h2-7,13,17H,8-9,15H2,1H3
InChIKeyHREYEGWWEDURKL-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.69
Rot. Bonds6

About [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine

[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine (PubChem CID 114277964) has the molecular formula C13H17IN4O and a molecular weight of 372.21 g/mol. Its IUPAC name is [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
PubChem CID114277964
Molecular FormulaC13H17IN4O
Molecular Weight372.21 g/mol
Exact Mass372.04
IUPAC Name[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
SMILESCOCCn1nccc1C(NN)c1ccc(I)cc1
InChIInChI=1S/C13H17IN4O/c1-19-9-8-18-12(6-7-16-18)13(17-15)10-2-4-11(14)5-3-10/h2-7,13,17H,8-9,15H2,1H3
InChIKeyHREYEGWWEDURKL-UHFFFAOYSA-N
XLogP1.69
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
[(4-ethylsulfanylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106850622
[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306921
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
[(2-methyl-4-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106756554
N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
CID 114277902
[(4-bromophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105192289
N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
CID 114277862
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900

Frequently Asked Questions

What is the IUPAC name of [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine?
The IUPAC name of [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine (CID 114277964) is [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine.
What is the SMILES notation for [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine?
The canonical SMILES for [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine is COCCn1nccc1C(NN)c1ccc(I)cc1.
What is the InChIKey of [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine?
The InChIKey is HREYEGWWEDURKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4O/c1-19-9-8-18-12(6-7-16-18)13(17-15)10-2-4-11(14)5-3-10/h2-7,13,17H,8-9,15H2,1H3.
What are the key properties of [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine?
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine has a molecular weight of 372.21 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine is sourced from PubChem (CID 114277964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).