[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine

C16H22N4O — CID 105318959

IUPAC[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nc(C)cc1CC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N4O/c1-3-20-15(6-11(2)19-20)8-16(18-17)12-4-5-13-9-21-10-14(13)7-12/h4-7,16,18H,3,8-10,17H2,1-2H3
InChIKeyIOXIJSMWZCFUBA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.99
Rot. Bonds5

About [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine

[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105318959) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105318959
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nc(C)cc1CC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N4O/c1-3-20-15(6-11(2)19-20)8-16(18-17)12-4-5-13-9-21-10-14(13)7-12/h4-7,16,18H,3,8-10,17H2,1-2H3
InChIKeyIOXIJSMWZCFUBA-UHFFFAOYSA-N
XLogP1.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105319051
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105333997
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269270
[1-(1-benzofuran-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105218318
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105318994
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261743
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219848
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
4-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231039
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253636

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine (CID 105318959) is [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine is CCn1nc(C)cc1CC(NN)c1ccc2c(c1)COC2.
What is the InChIKey of [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is IOXIJSMWZCFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-15(6-11(2)19-20)8-16(18-17)12-4-5-13-9-21-10-14(13)7-12/h4-7,16,18H,3,8-10,17H2,1-2H3.
What are the key properties of [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105318959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).