[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine

C13H17ClN4O — CID 114255680

IUPAC[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2ccccc2Cl)NN)nn1C
InChIInChI=1S/C13H17ClN4O/c1-18-13(19-2)8-12(17-18)11(16-15)7-9-5-3-4-6-10(9)14/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyOCAIIOMUZHDUAO-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.83
Rot. Bonds5

About [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine

[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 114255680) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID114255680
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2ccccc2Cl)NN)nn1C
InChIInChI=1S/C13H17ClN4O/c1-18-13(19-2)8-12(17-18)11(16-15)7-9-5-3-4-6-10(9)14/h3-6,8,11,16H,7,15H2,1-2H3
InChIKeyOCAIIOMUZHDUAO-UHFFFAOYSA-N
XLogP1.83
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
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-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine (CID 114255680) is [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine is COc1cc(C(Cc2ccccc2Cl)NN)nn1C.
What is the InChIKey of [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is OCAIIOMUZHDUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-18-13(19-2)8-12(17-18)11(16-15)7-9-5-3-4-6-10(9)14/h3-6,8,11,16H,7,15H2,1-2H3.
What are the key properties of [2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 280.76 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-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114255680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).