3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole

C32H34N4 — CID 20739257

IUPAC3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
SMILESCC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1
InChIInChI=1S/C32H34N4/c1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6/h7-18H,19-20H2,1-6H3
InChIKeyDHTQXVSTLAOOEU-UHFFFAOYSA-N
MW474.65 g/mol
LogP7.48
Rot. Bonds4

About 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole

3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole (PubChem CID 20739257) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
PubChem CID20739257
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
SMILESCC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1
InChIInChI=1S/C32H34N4/c1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6/h7-18H,19-20H2,1-6H3
InChIKeyDHTQXVSTLAOOEU-UHFFFAOYSA-N
XLogP7.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole (CID 20739257) is 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole is CC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole?
The InChIKey is DHTQXVSTLAOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6/h7-18H,19-20H2,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole?
3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole has a molecular weight of 474.65 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole is sourced from PubChem (CID 20739257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).