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

C13H16N4O — CID 103140552

IUPAC[2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)C2COc3ccccc32)n1
InChIInChI=1S/C13H16N4O/c1-17-7-6-11(16-17)13(15-14)10-8-18-12-5-3-2-4-9(10)12/h2-7,10,13,15H,8,14H2,1H3
InChIKeyCQXUHRNJNQYROI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds3

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

[2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 103140552) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID103140552
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)C2COc3ccccc32)n1
InChIInChI=1S/C13H16N4O/c1-17-7-6-11(16-17)13(15-14)10-8-18-12-5-3-2-4-9(10)12/h2-7,10,13,15H,8,14H2,1H3
InChIKeyCQXUHRNJNQYROI-UHFFFAOYSA-N
XLogP1.10
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
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-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 103140093
[2,3-dihydro-1-benzofuran-3-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105262807
[2,3-dihydro-1H-inden-2-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140273
[(1-methylpyrazol-3-yl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105228884
[(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262798
[2,3-dihydro-1-benzofuran-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105262790
[(2,3-difluorophenyl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262671
[2,3-dihydro-1-benzofuran-3-yl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105262811
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105262730
[(1-methylpyrazol-3-yl)-(oxolan-2-yl)methyl]hydrazine
CID 103140215
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine (CID 103140552) is [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine is Cn1ccc(C(NN)C2COc3ccccc32)n1.
What is the InChIKey of [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is CQXUHRNJNQYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-7-6-11(16-17)13(15-14)10-8-18-12-5-3-2-4-9(10)12/h2-7,10,13,15H,8,14H2,1H3.
What are the key properties of [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine?
[2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 244.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzofuran-3-yl-(1-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 103140552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).