4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde

C27H23N5O — CID 155899056

IUPAC4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
SMILESCn1cc(-c2ccc(N(c3ccc(C=O)cc3)c3ccc(-c4cnn(C)c4)cc3)cc2)cn1
InChIInChI=1S/C27H23N5O/c1-30-17-23(15-28-30)21-5-11-26(12-6-21)32(25-9-3-20(19-33)4-10-25)27-13-7-22(8-14-27)24-16-29-31(2)18-24/h3-19H,1-2H3
InChIKeySAWZHBHSCFWLII-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.77
Rot. Bonds6

About 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde

4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde (PubChem CID 155899056) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
PubChem CID155899056
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
SMILESCn1cc(-c2ccc(N(c3ccc(C=O)cc3)c3ccc(-c4cnn(C)c4)cc3)cc2)cn1
InChIInChI=1S/C27H23N5O/c1-30-17-23(15-28-30)21-5-11-26(12-6-21)32(25-9-3-20(19-33)4-10-25)27-13-7-22(8-14-27)24-16-29-31(2)18-24/h3-19H,1-2H3
InChIKeySAWZHBHSCFWLII-UHFFFAOYSA-N
XLogP5.77
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462
4-[4-(4-propan-2-yloxyphenyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]anilino]benzaldehyde
CID 168953005
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
N-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)aniline;octane
CID 145105907
4-[2-[4-[4-[2-(4-formylphenyl)ethynyl]-N-[4-[2-(4-formylphenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzaldehyde
CID 11399437
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde (CID 155899056) is 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde is Cn1cc(-c2ccc(N(c3ccc(C=O)cc3)c3ccc(-c4cnn(C)c4)cc3)cc2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde?
The InChIKey is SAWZHBHSCFWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-30-17-23(15-28-30)21-5-11-26(12-6-21)32(25-9-3-20(19-33)4-10-25)27-13-7-22(8-14-27)24-16-29-31(2)18-24/h3-19H,1-2H3.
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde?
4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde has a molecular weight of 433.52 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde is sourced from PubChem (CID 155899056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).