N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide

C17H22N4O2 — CID 126816766

IUPACN'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide
SMILESNC(=NOCC(=O)N1CCC(c2ccccc2)=N1)C1CCCC1
InChIInChI=1S/C17H22N4O2/c18-17(14-8-4-5-9-14)20-23-12-16(22)21-11-10-15(19-21)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,20)
InChIKeyZNNWSBBEMFHQGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds5

About N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide

N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide (PubChem CID 126816766) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide
PubChem CID126816766
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide
SMILESNC(=NOCC(=O)N1CCC(c2ccccc2)=N1)C1CCCC1
InChIInChI=1S/C17H22N4O2/c18-17(14-8-4-5-9-14)20-23-12-16(22)21-11-10-15(19-21)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,20)
InChIKeyZNNWSBBEMFHQGO-UHFFFAOYSA-N
XLogP2.10
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide?
The IUPAC name of N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide (CID 126816766) is N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide?
The canonical SMILES for N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide is NC(=NOCC(=O)N1CCC(c2ccccc2)=N1)C1CCCC1.
What is the InChIKey of N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide?
The InChIKey is ZNNWSBBEMFHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-17(14-8-4-5-9-14)20-23-12-16(22)21-11-10-15(19-21)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,20).
What are the key properties of N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide?
N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide is sourced from PubChem (CID 126816766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).