[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

C16H22N4O — CID 105234135

IUPAC[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)C1Cc2ccccc2C1
InChIInChI=1S/C16H22N4O/c1-3-20-16(14(21-2)10-18-20)15(19-17)13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13,15,19H,3,8-9,17H2,1-2H3
InChIKeyQOOHXEHQCHSHNY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.83
Rot. Bonds5

About [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (PubChem CID 105234135) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
PubChem CID105234135
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)C1Cc2ccccc2C1
InChIInChI=1S/C16H22N4O/c1-3-20-16(14(21-2)10-18-20)15(19-17)13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13,15,19H,3,8-9,17H2,1-2H3
InChIKeyQOOHXEHQCHSHNY-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (CID 105234135) is [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is CCn1ncc(OC)c1C(NN)C1Cc2ccccc2C1.
What is the InChIKey of [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The InChIKey is QOOHXEHQCHSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-16(14(21-2)10-18-20)15(19-17)13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13,15,19H,3,8-9,17H2,1-2H3.
What are the key properties of [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105234135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).