[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine

C16H17IN4 — CID 105318206

IUPAC[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
SMILESCn1nc(CC(NN)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C16H17IN4/c1-21-16-5-3-2-4-13(16)15(20-21)10-14(19-18)11-6-8-12(17)9-7-11/h2-9,14,19H,10,18H2,1H3
InChIKeyNMDKGGHHFJYYKY-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.92
Rot. Bonds4

About [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine

[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine (PubChem CID 105318206) has the molecular formula C16H17IN4 and a molecular weight of 392.24 g/mol. Its IUPAC name is [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
PubChem CID105318206
Molecular FormulaC16H17IN4
Molecular Weight392.24 g/mol
Exact Mass392.05
IUPAC Name[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
SMILESCn1nc(CC(NN)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C16H17IN4/c1-21-16-5-3-2-4-13(16)15(20-21)10-14(19-18)11-6-8-12(17)9-7-11/h2-9,14,19H,10,18H2,1H3
InChIKeyNMDKGGHHFJYYKY-UHFFFAOYSA-N
XLogP2.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(1-methylindazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105318162
[1-(5-bromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105222148
[2-(1-methylindazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260499
[2-(1-methylindazol-3-yl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219973
[3-ethyl-1-(1-methylindazol-3-yl)heptan-2-yl]hydrazine
CID 105318169
[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
CID 105248982
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923576
N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine (CID 105318206) is [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine is Cn1nc(CC(NN)c2ccc(I)cc2)c2ccccc21.
What is the InChIKey of [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine?
The InChIKey is NMDKGGHHFJYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN4/c1-21-16-5-3-2-4-13(16)15(20-21)10-14(19-18)11-6-8-12(17)9-7-11/h2-9,14,19H,10,18H2,1H3.
What are the key properties of [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine?
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine has a molecular weight of 392.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).