1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol

C17H19N3O2 — CID 142517012

IUPAC1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
SMILESC=Nc1cc(-c2ccnn2C2CCCCO2)ccc1C(=C)O
InChIInChI=1S/C17H19N3O2/c1-12(21)14-7-6-13(11-15(14)18-2)16-8-9-19-20(16)17-5-3-4-10-22-17/h6-9,11,17,21H,1-5,10H2
InChIKeyRCGIRFNJPWRSIS-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol

1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol (PubChem CID 142517012) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol.

Molecular Properties

Compound Name1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
PubChem CID142517012
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
SMILESC=Nc1cc(-c2ccnn2C2CCCCO2)ccc1C(=C)O
InChIInChI=1S/C17H19N3O2/c1-12(21)14-7-6-13(11-15(14)18-2)16-8-9-19-20(16)17-5-3-4-10-22-17/h6-9,11,17,21H,1-5,10H2
InChIKeyRCGIRFNJPWRSIS-UHFFFAOYSA-N
XLogP4.11
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]benzaldehyde
CID 170984370
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
4-[[2-[2-fluoro-4-[2-(oxan-2-yl)pyrazol-3-yl]benzoyl]cyclohexanecarbonyl]amino]-1-methylpyrazole-3-carboxamide
CID 137426502
CID 88950303
CID 88950303
trans-(1R,2R)-2-[4-[2-(oxan-2-yl)pyrazol-3-yl]benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 122678114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol?
The IUPAC name of 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol (CID 142517012) is 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol.
What is the SMILES notation for 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol?
The canonical SMILES for 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol is C=Nc1cc(-c2ccnn2C2CCCCO2)ccc1C(=C)O.
What is the InChIKey of 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol?
The InChIKey is RCGIRFNJPWRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(21)14-7-6-13(11-15(14)18-2)16-8-9-19-20(16)17-5-3-4-10-22-17/h6-9,11,17,21H,1-5,10H2.
What are the key properties of 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol?
1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol has a molecular weight of 297.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol is sourced from PubChem (CID 142517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).