1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole

C18H14N8 — CID 101467101

IUPAC1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1
InChIInChI=1S/C18H14N8/c1-7-19-23(11-1)15-5-6-16(24-12-2-8-20-24)18(26-14-4-10-22-26)17(15)25-13-3-9-21-25/h1-14H
InChIKeyRGSJXQPYXCATCQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.43
Rot. Bonds4

About 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole

1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 101467101) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
PubChem CID101467101
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1
InChIInChI=1S/C18H14N8/c1-7-19-23(11-1)15-5-6-16(24-12-2-8-20-24)18(26-14-4-10-22-26)17(15)25-13-3-9-21-25/h1-14H
InChIKeyRGSJXQPYXCATCQ-UHFFFAOYSA-N
XLogP2.43
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 106765702
cobalt;2,6-di(pyrazol-1-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole (CID 101467101) is 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole is c1cnn(-c2ccc(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1.
What is the InChIKey of 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is RGSJXQPYXCATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-7-19-23(11-1)15-5-6-16(24-12-2-8-20-24)18(26-14-4-10-22-26)17(15)25-13-3-9-21-25/h1-14H.
What are the key properties of 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole?
1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole has a molecular weight of 342.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 101467101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).