1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole

C25H24N2 — CID 59661638

IUPAC1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
SMILESCc1cccc(C)c1-c1ccccc1-c1ccn(-c2c(C)cccc2C)n1
InChIInChI=1S/C25H24N2/c1-17-9-7-10-18(2)24(17)22-14-6-5-13-21(22)23-15-16-27(26-23)25-19(3)11-8-12-20(25)4/h5-16H,1-4H3
InChIKeyUYKHPYOODKZRPG-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.44
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole

1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole (PubChem CID 59661638) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
PubChem CID59661638
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
SMILESCc1cccc(C)c1-c1ccccc1-c1ccn(-c2c(C)cccc2C)n1
InChIInChI=1S/C25H24N2/c1-17-9-7-10-18(2)24(17)22-14-6-5-13-21(22)23-15-16-27(26-23)25-19(3)11-8-12-20(25)4/h5-16H,1-4H3
InChIKeyUYKHPYOODKZRPG-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole (CID 59661638) is 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole is Cc1cccc(C)c1-c1ccccc1-c1ccn(-c2c(C)cccc2C)n1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole?
The InChIKey is UYKHPYOODKZRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-17-9-7-10-18(2)24(17)22-14-6-5-13-21(22)23-15-16-27(26-23)25-19(3)11-8-12-20(25)4/h5-16H,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole?
1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole has a molecular weight of 352.48 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole is sourced from PubChem (CID 59661638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).