(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C21H24N6 — CID 6861884

IUPAC(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N6/c1-17-20(18(2)27(24-17)19-8-4-3-5-9-19)16-23-26-14-12-25(13-15-26)21-10-6-7-11-22-21/h3-11,16H,12-15H2,1-2H3/b23-16+
InChIKeyUWNDIGLAPWDHKC-XQNSMLJCSA-N
MW360.47 g/mol
LogP3.04
Rot. Bonds4

About (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6861884) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6861884
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N6/c1-17-20(18(2)27(24-17)19-8-4-3-5-9-19)16-23-26-14-12-25(13-15-26)21-10-6-7-11-22-21/h3-11,16H,12-15H2,1-2H3/b23-16+
InChIKeyUWNDIGLAPWDHKC-XQNSMLJCSA-N
XLogP3.04
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6861884) is (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is UWNDIGLAPWDHKC-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H24N6/c1-17-20(18(2)27(24-17)19-8-4-3-5-9-19)16-23-26-14-12-25(13-15-26)21-10-6-7-11-22-21/h3-11,16H,12-15H2,1-2H3/b23-16+.
What are the key properties of (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 360.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).