(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine

C16H20N4 — CID 66575032

IUPAC(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCn1nccc1/N=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H20N4/c1-2-20-16(9-10-18-20)17-13-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,13H,2-4,11-12H2,1H3/b17-13+
InChIKeyVSRZWUUHDYTIED-GHRIWEEISA-N
MW268.36 g/mol
LogP3.25
Rot. Bonds4

About (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine

(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 66575032) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID66575032
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCn1nccc1/N=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H20N4/c1-2-20-16(9-10-18-20)17-13-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,13H,2-4,11-12H2,1H3/b17-13+
InChIKeyVSRZWUUHDYTIED-GHRIWEEISA-N
XLogP3.25
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine (CID 66575032) is (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine is CCn1nccc1/N=C/c1ccc(N2CCCC2)cc1.
What is the InChIKey of (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is VSRZWUUHDYTIED-GHRIWEEISA-N. The full InChI is InChI=1S/C16H20N4/c1-2-20-16(9-10-18-20)17-13-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,13H,2-4,11-12H2,1H3/b17-13+.
What are the key properties of (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
(E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 268.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylpyrazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 66575032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).