1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine

C30H34N4 — CID 25065047

IUPAC1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
SMILESCc1ccc(N2CCN(CCCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c(C)c1
InChIInChI=1S/C30H34N4/c1-24-15-16-29(25(2)22-24)33-20-18-32(19-21-33)17-9-12-27-23-30(26-10-5-3-6-11-26)34(31-27)28-13-7-4-8-14-28/h3-8,10-11,13-16,22-23H,9,12,17-21H2,1-2H3
InChIKeyFPROSUDFWFOZOY-UHFFFAOYSA-N
MW450.63 g/mol
LogP5.91
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine

1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine (PubChem CID 25065047) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
PubChem CID25065047
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
SMILESCc1ccc(N2CCN(CCCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c(C)c1
InChIInChI=1S/C30H34N4/c1-24-15-16-29(25(2)22-24)33-20-18-32(19-21-33)17-9-12-27-23-30(26-10-5-3-6-11-26)34(31-27)28-13-7-4-8-14-28/h3-8,10-11,13-16,22-23H,9,12,17-21H2,1-2H3
InChIKeyFPROSUDFWFOZOY-UHFFFAOYSA-N
XLogP5.91
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine (CID 25065047) is 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine is Cc1ccc(N2CCN(CCCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine?
The InChIKey is FPROSUDFWFOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-24-15-16-29(25(2)22-24)33-20-18-32(19-21-33)17-9-12-27-23-30(26-10-5-3-6-11-26)34(31-27)28-13-7-4-8-14-28/h3-8,10-11,13-16,22-23H,9,12,17-21H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine?
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine has a molecular weight of 450.63 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine is sourced from PubChem (CID 25065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).