N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine

C30H24N4O — CID 2488828

IUPACN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24N4O/c1-35-28-19-17-25(18-20-28)30-26(22-34(33-30)27-15-9-4-10-16-27)21-31-32-29(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-22H,1H3
InChIKeyXMLSHGORDRILMW-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.42
Rot. Bonds7

About N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine

N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine (PubChem CID 2488828) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
PubChem CID2488828
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24N4O/c1-35-28-19-17-25(18-20-28)30-26(22-34(33-30)27-15-9-4-10-16-27)21-31-32-29(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-22H,1H3
InChIKeyXMLSHGORDRILMW-UHFFFAOYSA-N
XLogP6.42
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 34306104
2-amino-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 5178043
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
CID 23966319
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 51061653
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine (CID 2488828) is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine is COc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is XMLSHGORDRILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c1-35-28-19-17-25(18-20-28)30-26(22-34(33-30)27-15-9-4-10-16-27)21-31-32-29(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-22H,1H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine?
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 456.55 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 2488828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).