1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole

C33H24N6 — CID 138572768

IUPAC1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
SMILESc1cc(-c2cc(-c3cccc(-n4cccn4)c3)cc(-c3cccc(-n4cccn4)c3)c2)cc(-n2cccn2)c1
InChIInChI=1S/C33H24N6/c1-7-25(22-31(10-1)37-16-4-13-34-37)28-19-29(26-8-2-11-32(23-26)38-17-5-14-35-38)21-30(20-28)27-9-3-12-33(24-27)39-18-6-15-36-39/h1-24H
InChIKeyXBUHHBURAIGTQI-UHFFFAOYSA-N
MW504.60 g/mol
LogP7.24
Rot. Bonds6

About 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole

1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole (PubChem CID 138572768) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
PubChem CID138572768
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC Name1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
SMILESc1cc(-c2cc(-c3cccc(-n4cccn4)c3)cc(-c3cccc(-n4cccn4)c3)c2)cc(-n2cccn2)c1
InChIInChI=1S/C33H24N6/c1-7-25(22-31(10-1)37-16-4-13-34-37)28-19-29(26-8-2-11-32(23-26)38-17-5-14-35-38)21-30(20-28)27-9-3-12-33(24-27)39-18-6-15-36-39/h1-24H
InChIKeyXBUHHBURAIGTQI-UHFFFAOYSA-N
XLogP7.24
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 160598065
N-(3-pyrazol-1-ylphenyl)pyridin-4-amine
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(3-pyrazol-1-ylphenyl) acetate
CID 67940109
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741
4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 71735706
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CID 140595848

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole?
The IUPAC name of 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole (CID 138572768) is 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole.
What is the SMILES notation for 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole?
The canonical SMILES for 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole is c1cc(-c2cc(-c3cccc(-n4cccn4)c3)cc(-c3cccc(-n4cccn4)c3)c2)cc(-n2cccn2)c1.
What is the InChIKey of 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole?
The InChIKey is XBUHHBURAIGTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6/c1-7-25(22-31(10-1)37-16-4-13-34-37)28-19-29(26-8-2-11-32(23-26)38-17-5-14-35-38)21-30(20-28)27-9-3-12-33(24-27)39-18-6-15-36-39/h1-24H.
What are the key properties of 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole?
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole has a molecular weight of 504.60 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole is sourced from PubChem (CID 138572768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).