[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine

C15H20N4O2 — CID 105230174

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1cc(CC(NN)C2COc3ccccc3O2)cn1
InChIInChI=1S/C15H20N4O2/c1-2-19-9-11(8-17-19)7-12(18-16)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-9,12,15,18H,2,7,10,16H2,1H3
InChIKeyKNTSERWFTXNMBN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.12
Rot. Bonds5

About [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105230174) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105230174
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1cc(CC(NN)C2COc3ccccc3O2)cn1
InChIInChI=1S/C15H20N4O2/c1-2-19-9-11(8-17-19)7-12(18-16)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-9,12,15,18H,2,7,10,16H2,1H3
InChIKeyKNTSERWFTXNMBN-UHFFFAOYSA-N
XLogP1.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 105230199
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
[2-(1-ethylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 105234594
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
[2-(1-ethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105291456
[1-(3-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105232851
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine (CID 105230174) is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine is CCn1cc(CC(NN)C2COc3ccccc3O2)cn1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is KNTSERWFTXNMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-9-11(8-17-19)7-12(18-16)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-9,12,15,18H,2,7,10,16H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 288.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105230174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).