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

C28H28N6 — CID 118529608

IUPAC3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(N(C)C)c5)[nH]n4)c3)n[nH]2)c1
InChIInChI=1S/C28H28N6/c1-33(2)23-12-6-10-21(15-23)27-17-25(29-31-27)19-8-5-9-20(14-19)26-18-28(32-30-26)22-11-7-13-24(16-22)34(3)4/h5-18H,1-4H3,(H,29,31)(H,30,32)
InChIKeyQIKRVFJRACSBMJ-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.93
Rot. Bonds6

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

3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline (PubChem CID 118529608) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
PubChem CID118529608
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(N(C)C)c5)[nH]n4)c3)n[nH]2)c1
InChIInChI=1S/C28H28N6/c1-33(2)23-12-6-10-21(15-23)27-17-25(29-31-27)19-8-5-9-20(14-19)26-18-28(32-30-26)22-11-7-13-24(16-22)34(3)4/h5-18H,1-4H3,(H,29,31)(H,30,32)
InChIKeyQIKRVFJRACSBMJ-UHFFFAOYSA-N
XLogP5.93
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline (CID 118529608) is 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline is CN(C)c1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(N(C)C)c5)[nH]n4)c3)n[nH]2)c1.
What is the InChIKey of 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline?
The InChIKey is QIKRVFJRACSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-33(2)23-12-6-10-21(15-23)27-17-25(29-31-27)19-8-5-9-20(14-19)26-18-28(32-30-26)22-11-7-13-24(16-22)34(3)4/h5-18H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline?
3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline has a molecular weight of 448.57 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 118529608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).