1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine

C28H28N4O — CID 23966319

IUPAC1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C28H28N4O/c1-33-27-16-10-22(11-17-27)28-23(21-32(30-28)26-8-4-2-5-9-26)20-29-24-12-14-25(15-13-24)31-18-6-3-7-19-31/h2,4-5,8-17,20-21H,3,6-7,18-19H2,1H3/b29-20+
InChIKeyVGDCAZZEDSZTAX-ZTKZIYFRSA-N
MW436.56 g/mol
LogP6.29
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine

1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine (PubChem CID 23966319) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
PubChem CID23966319
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C28H28N4O/c1-33-27-16-10-22(11-17-27)28-23(21-32(30-28)26-8-4-2-5-9-26)20-29-24-12-14-25(15-13-24)31-18-6-3-7-19-31/h2,4-5,8-17,20-21H,3,6-7,18-19H2,1H3/b29-20+
InChIKeyVGDCAZZEDSZTAX-ZTKZIYFRSA-N
XLogP6.29
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)methanimine
CID 23856063
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4221591
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
CID 23992026
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
1-(4-methoxyphenyl)piperidine
CID 10130315
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
2-amino-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 5178043

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine (CID 23966319) is 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine?
The InChIKey is VGDCAZZEDSZTAX-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H28N4O/c1-33-27-16-10-22(11-17-27)28-23(21-32(30-28)26-8-4-2-5-9-26)20-29-24-12-14-25(15-13-24)31-18-6-3-7-19-31/h2,4-5,8-17,20-21H,3,6-7,18-19H2,1H3/b29-20+.
What are the key properties of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine?
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine has a molecular weight of 436.56 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine is sourced from PubChem (CID 23966319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).