1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole

C24H18N12 — CID 12053583

IUPAC1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1
InChIInChI=1S/C24H18N12/c1-7-25-31(13-1)19-20(32-14-2-8-26-32)22(34-16-4-10-28-34)24(36-18-6-12-30-36)23(35-17-5-11-29-35)21(19)33-15-3-9-27-33/h1-18H
InChIKeyZLSPXFMOKCUGIY-UHFFFAOYSA-N
MW474.49 g/mol
LogP2.80
Rot. Bonds6

About 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole

1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 12053583) has the molecular formula C24H18N12 and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole
PubChem CID12053583
Molecular FormulaC24H18N12
Molecular Weight474.49 g/mol
Exact Mass474.18
IUPAC Name1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1
InChIInChI=1S/C24H18N12/c1-7-25-31(13-1)19-20(32-14-2-8-26-32)22(34-16-4-10-28-34)24(36-18-6-12-30-36)23(35-17-5-11-29-35)21(19)33-15-3-9-27-33/h1-18H
InChIKeyZLSPXFMOKCUGIY-UHFFFAOYSA-N
XLogP2.80
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Hexa(1H-pyrrol-1-yl)benzene
CID 2769422
1-[2,3,4-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1-[2,4,5-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 102012622
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
1-[2,5-Difluoro-3,4,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 85691510
3,5-Dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
CID 5256864
1,3,5-Tris(pyrazol-1-yl) benzene
CID 12645020
2-[1-[2,4,5-Tris(3-pyridin-2-ylpyrazol-1-yl)phenyl]pyrazol-3-yl]pyridine
CID 90796114
1-[2,4-Dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 91014769
1-[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
CID 102091686

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole (CID 12053583) is 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole is c1cnn(-c2c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c(-n3cccn3)c2-n2cccn2)c1.
What is the InChIKey of 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is ZLSPXFMOKCUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N12/c1-7-25-31(13-1)19-20(32-14-2-8-26-32)22(34-16-4-10-28-34)24(36-18-6-12-30-36)23(35-17-5-11-29-35)21(19)33-15-3-9-27-33/h1-18H.
What are the key properties of 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole?
1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole has a molecular weight of 474.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 12053583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).