4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline

C23H26N4 — CID 127032248

IUPAC4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[nH]n2)cc1
InChIInChI=1S/C23H26N4/c1-26(2)22-13-7-18(8-14-22)5-11-20-17-21(25-24-20)12-6-19-9-15-23(16-10-19)27(3)4/h5-17H,1-4H3,(H,24,25)/b11-5+,12-6+
InChIKeyPQUAJOCKEQCRGV-YDWXAUTNSA-N
MW358.49 g/mol
LogP4.88
Rot. Bonds6

About 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 127032248) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline
PubChem CID127032248
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[nH]n2)cc1
InChIInChI=1S/C23H26N4/c1-26(2)22-13-7-18(8-14-22)5-11-20-17-21(25-24-20)12-6-19-9-15-23(16-10-19)27(3)4/h5-17H,1-4H3,(H,24,25)/b11-5+,12-6+
InChIKeyPQUAJOCKEQCRGV-YDWXAUTNSA-N
XLogP4.88
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 70840
CID 70840
CID 11506914
CID 11506914
CID 16105481
CID 16105481
CID 283965
CID 283965
CID 3084338
CID 3084338
CID 10615437
CID 10615437
CID 4307928
CID 4307928
CID 2330529
CID 2330529
CID 10520941
CID 10520941
CID 10587140
CID 10587140
CID 10617366
CID 10617366
CID 10687967
CID 10687967

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline (CID 127032248) is 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is PQUAJOCKEQCRGV-YDWXAUTNSA-N. The full InChI is InChI=1S/C23H26N4/c1-26(2)22-13-7-18(8-14-22)5-11-20-17-21(25-24-20)12-6-19-9-15-23(16-10-19)27(3)4/h5-17H,1-4H3,(H,24,25)/b11-5+,12-6+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 358.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 127032248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).