(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine

C19H20N4S — CID 6904794

IUPAC(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H20N4S/c1-3-8-17(9-4-1)23-15-16(14-20-22-11-5-2-6-12-22)19(21-23)18-10-7-13-24-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2/b20-14+
InChIKeyZLRCRWDYLDQPFX-XSFVSMFZSA-N
MW336.46 g/mol
LogP4.42
Rot. Bonds4

About (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine

(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine (PubChem CID 6904794) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
PubChem CID6904794
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H20N4S/c1-3-8-17(9-4-1)23-15-16(14-20-22-11-5-2-6-12-22)19(21-23)18-10-7-13-24-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2/b20-14+
InChIKeyZLRCRWDYLDQPFX-XSFVSMFZSA-N
XLogP4.42
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine (CID 6904794) is (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine is C(=N/N1CCCCC1)\c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine?
The InChIKey is ZLRCRWDYLDQPFX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H20N4S/c1-3-8-17(9-4-1)23-15-16(14-20-22-11-5-2-6-12-22)19(21-23)18-10-7-13-24-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2/b20-14+.
What are the key properties of (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine?
(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine has a molecular weight of 336.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6904794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).