(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine

C32H24N6 — CID 10648840

IUPAC(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine
SMILESC(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C32H24N6/c1-5-13-25(14-6-1)31-27(23-37(35-31)29-17-9-3-10-18-29)21-33-34-22-28-24-38(30-19-11-4-12-20-30)36-32(28)26-15-7-2-8-16-26/h1-24H/b33-21+,34-22+
InChIKeyLQPZCMWHJHSCFZ-WXGDAXOSSA-N
MW492.59 g/mol
LogP6.84
Rot. Bonds7

About (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine

(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine (PubChem CID 10648840) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine
PubChem CID10648840
Molecular FormulaC32H24N6
Molecular Weight492.59 g/mol
Exact Mass492.21
IUPAC Name(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine
SMILESC(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C32H24N6/c1-5-13-25(14-6-1)31-27(23-37(35-31)29-17-9-3-10-18-29)21-33-34-22-28-24-38(30-19-11-4-12-20-30)36-32(28)26-15-7-2-8-16-26/h1-24H/b33-21+,34-22+
InChIKeyLQPZCMWHJHSCFZ-WXGDAXOSSA-N
XLogP6.84
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 25333445
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CID 152221091
1,3,5-Triphenylpyrazole
CID 626614
Fezolamine
CID 54567
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1-phenylpyrazole
CID 136044103
6-Benzyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11568951

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine (CID 10648840) is (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine is C(=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine?
The InChIKey is LQPZCMWHJHSCFZ-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H24N6/c1-5-13-25(14-6-1)31-27(23-37(35-31)29-17-9-3-10-18-29)21-33-34-22-28-24-38(30-19-11-4-12-20-30)36-32(28)26-15-7-2-8-16-26/h1-24H/b33-21+,34-22+.
What are the key properties of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine?
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine has a molecular weight of 492.59 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]methanimine is sourced from PubChem (CID 10648840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).