1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

C26H22N8 — CID 102099674

IUPAC1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C26H22N8/c1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34/h1-20,25-26H
InChIKeyZQUJOLJAFVAYGH-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.33
Rot. Bonds7

About 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole

1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (PubChem CID 102099674) has the molecular formula C26H22N8 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.

Molecular Properties

Compound Name1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
PubChem CID102099674
Molecular FormulaC26H22N8
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
SMILESc1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C26H22N8/c1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34/h1-20,25-26H
InChIKeyZQUJOLJAFVAYGH-UHFFFAOYSA-N
XLogP4.33
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[Anthracen-9-yl(pyrazol-1-yl)methyl]pyrazole
CID 76332049
Disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)
CID 139146586
1,2-Bis(pyrazolyl-1-carbonyl)benzene
CID 15190534
Hexa(pyrazol-1-ylmethyl)benzene
CID 15190545
1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-
CID 5242475
4,4'-Bis(pyrazole-1-ylmethyl)-biphenyl
CID 90839421
1-(1-Phenyl-1-pyrazol-1-ylethyl)pyrazole
CID 4367534
1-[Diphenyl(pyrazol-1-yl)methyl]pyrazole
CID 5247496
1-[Bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]methyl]-5-(2,4,6-trimethylphenyl)pyrazole
CID 24755215
1,4-Bis(di(1H-pyrazol-1-yl)methyl)benzene
CID 91103256
1-[[3-[Di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
CID 91184187
1,1',1''-((2,4,6-Triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole)
CID 91461332

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The IUPAC name of 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole (CID 102099674) is 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole.
What is the SMILES notation for 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The canonical SMILES for 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is c1ccc(C(n2cccn2)n2cccn2)c(-c2ccccc2C(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
The InChIKey is ZQUJOLJAFVAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8/c1-3-11-23(25(31-17-5-13-27-31)32-18-6-14-28-32)21(9-1)22-10-2-4-12-24(22)26(33-19-7-15-29-33)34-20-8-16-30-34/h1-20,25-26H.
What are the key properties of 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole?
1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole has a molecular weight of 446.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole is sourced from PubChem (CID 102099674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).