1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole

C18H14N8 — CID 102012622

IUPAC1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2cc(-n3cccn3)c(-n3cccn3)cc2-n2cccn2)c1
InChIInChI=1S/C18H14N8/c1-5-19-23(9-1)15-13-17(25-11-3-7-21-25)18(26-12-4-8-22-26)14-16(15)24-10-2-6-20-24/h1-14H
InChIKeyCWKXRYGUBMBGJV-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.43
Rot. Bonds4

About 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole

1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 102012622) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole
PubChem CID102012622
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2cc(-n3cccn3)c(-n3cccn3)cc2-n2cccn2)c1
InChIInChI=1S/C18H14N8/c1-5-19-23(9-1)15-13-17(25-11-3-7-21-25)18(26-12-4-8-22-26)14-16(15)24-10-2-6-20-24/h1-14H
InChIKeyCWKXRYGUBMBGJV-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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1-phenyl-4-{[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]methyl}-1H-1,2,3-triazole
CID 56780459
Bis(diazol-1-yl)-fluorobenzene
CID 129777424
Bis[2-(1h-pyrazol-1-yl)phenyl)mercury
CID 13203473
1-[2,3,4-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1,4-Bis(4'-pyrazolyl)benzene
CID 10398197
1,1'-(1,3-Phenylene)bis[1H-pyrazole]
CID 44193844
3-Methyl-1-[3-(3-methylpyrazol-1-yl)phenyl]pyrazole
CID 58965510
1-(2-Pyrazol-1-ylphenyl)pyrazole
CID 69007263
N1,N1,N3,N3-tetrakis(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 361756
2,6-bis(1H-pyrazol-1-yl)aniline
CID 50989646

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole (CID 102012622) is 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole is c1cnn(-c2cc(-n3cccn3)c(-n3cccn3)cc2-n2cccn2)c1.
What is the InChIKey of 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is CWKXRYGUBMBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-5-19-23(9-1)15-13-17(25-11-3-7-21-25)18(26-12-4-8-22-26)14-16(15)24-10-2-6-20-24/h1-14H.
What are the key properties of 1-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole?
1-[2,4,5-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-[2,4,5-tri(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 102012622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).