5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole

C30H30N4 — CID 118529496

IUPAC5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
SMILESCCCc1c(-c2cccc(-c3n[nH]c(-c4ccccc4)c3CCC)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C30H30N4/c1-3-12-25-27(21-14-7-5-8-15-21)31-33-29(25)23-18-11-19-24(20-23)30-26(13-4-2)28(32-34-30)22-16-9-6-10-17-22/h5-11,14-20H,3-4,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyVZAZJDKXPUNMBH-UHFFFAOYSA-N
MW446.60 g/mol
LogP7.71
Rot. Bonds8

About 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole

5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole (PubChem CID 118529496) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
PubChem CID118529496
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
SMILESCCCc1c(-c2cccc(-c3n[nH]c(-c4ccccc4)c3CCC)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C30H30N4/c1-3-12-25-27(21-14-7-5-8-15-21)31-33-29(25)23-18-11-19-24(20-23)30-26(13-4-2)28(32-34-30)22-16-9-6-10-17-22/h5-11,14-20H,3-4,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyVZAZJDKXPUNMBH-UHFFFAOYSA-N
XLogP7.71
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole?
The IUPAC name of 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole (CID 118529496) is 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole is CCCc1c(-c2cccc(-c3n[nH]c(-c4ccccc4)c3CCC)c2)n[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole?
The InChIKey is VZAZJDKXPUNMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-3-12-25-27(21-14-7-5-8-15-21)31-33-29(25)23-18-11-19-24(20-23)30-26(13-4-2)28(32-34-30)22-16-9-6-10-17-22/h5-11,14-20H,3-4,12-13H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole?
5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole has a molecular weight of 446.60 g/mol, XLogP of 7.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole is sourced from PubChem (CID 118529496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).