1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

C23H22N4O — CID 2371856

IUPAC1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
SMILESC(=NN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H22N4O/c1-3-10-20(11-4-1)27-17-19(16-24-26-13-7-2-8-14-26)23(25-27)22-15-18-9-5-6-12-21(18)28-22/h1,3-6,9-12,15-17H,2,7-8,13-14H2
InChIKeyOUCMPZLWCOOCTA-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.11
Rot. Bonds4

About 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (PubChem CID 2371856) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
PubChem CID2371856
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
SMILESC(=NN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H22N4O/c1-3-10-20(11-4-1)27-17-19(16-24-26-13-7-2-8-14-26)23(25-27)22-15-18-9-5-6-12-21(18)28-22/h1,3-6,9-12,15-17H,2,7-8,13-14H2
InChIKeyOUCMPZLWCOOCTA-UHFFFAOYSA-N
XLogP5.11
TPSA46.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.11
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 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (CID 2371856) is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is C(=NN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The InChIKey is OUCMPZLWCOOCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-10-20(11-4-1)27-17-19(16-24-26-13-7-2-8-14-26)23(25-27)22-15-18-9-5-6-12-21(18)28-22/h1,3-6,9-12,15-17H,2,7-8,13-14H2.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine has a molecular weight of 370.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 2371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).