4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline

C26H25N3O — CID 57080412

IUPAC4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2cc(C=Cc3ccc(N(C)C)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O/c1-28(2)23-15-10-20(11-16-23)9-14-22-19-26(21-12-17-25(30-3)18-13-21)29(27-22)24-7-5-4-6-8-24/h4-19H,1-3H3
InChIKeyHIKABOZUIUFHGP-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.78
Rot. Bonds6

About 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline

4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 57080412) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
PubChem CID57080412
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2cc(C=Cc3ccc(N(C)C)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O/c1-28(2)23-15-10-20(11-16-23)9-14-22-19-26(21-12-17-25(30-3)18-13-21)29(27-22)24-7-5-4-6-8-24/h4-19H,1-3H3
InChIKeyHIKABOZUIUFHGP-UHFFFAOYSA-N
XLogP5.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 11099694
ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 10970105
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline
CID 42645166
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline
CID 102187147
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline (CID 57080412) is 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline is COc1ccc(-c2cc(C=Cc3ccc(N(C)C)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is HIKABOZUIUFHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-28(2)23-15-10-20(11-16-23)9-14-22-19-26(21-12-17-25(30-3)18-13-21)29(27-22)24-7-5-4-6-8-24/h4-19H,1-3H3.
What are the key properties of 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline?
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 395.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 57080412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).