2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide

C18H18N4O — CID 60548245

IUPAC2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H18N4O/c19-18(13-15-5-2-1-3-6-15)21-23-14-16-7-9-17(10-8-16)22-12-4-11-20-22/h1-12H,13-14H2,(H2,19,21)
InChIKeyOURSAWFPBYXGOI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds6

About 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide

2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide (PubChem CID 60548245) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide.

Molecular Properties

Compound Name2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
PubChem CID60548245
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H18N4O/c19-18(13-15-5-2-1-3-6-15)21-23-14-16-7-9-17(10-8-16)22-12-4-11-20-22/h1-12H,13-14H2,(H2,19,21)
InChIKeyOURSAWFPBYXGOI-UHFFFAOYSA-N
XLogP2.90
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
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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Related Compounds

N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
CID 75390964
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
CID 47330986
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine
CID 141100588
1-(2-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
N'-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methoxy]-2-phenylethanimidamide
CID 126830682
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55447938
benzyl N-[2,3-dihydroxy-3-(4-pyrazol-1-ylphenyl)propyl]carbamate
CID 171856680
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide?
The IUPAC name of 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide (CID 60548245) is 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide.
What is the SMILES notation for 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide?
The canonical SMILES for 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide is N/C(Cc1ccccc1)=N\OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide?
The InChIKey is OURSAWFPBYXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-18(13-15-5-2-1-3-6-15)21-23-14-16-7-9-17(10-8-16)22-12-4-11-20-22/h1-12H,13-14H2,(H2,19,21).
What are the key properties of 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide?
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide has a molecular weight of 306.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide is sourced from PubChem (CID 60548245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).