1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole

C25H24N2 — CID 177442441

IUPAC1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C25H24N2/c1-17-10-12-22(19(3)14-17)25-16-23(21-8-6-5-7-9-21)26-27(25)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3
InChIKeyJLXFWTOPAPASGL-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.44
Rot. Bonds3

About 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole

1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole (PubChem CID 177442441) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole
PubChem CID177442441
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C25H24N2/c1-17-10-12-22(19(3)14-17)25-16-23(21-8-6-5-7-9-21)26-27(25)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3
InChIKeyJLXFWTOPAPASGL-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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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole?
The IUPAC name of 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole (CID 177442441) is 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole.
What is the SMILES notation for 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole?
The canonical SMILES for 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole is Cc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole?
The InChIKey is JLXFWTOPAPASGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-17-10-12-22(19(3)14-17)25-16-23(21-8-6-5-7-9-21)26-27(25)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3.
What are the key properties of 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole?
1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole 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 1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole is sourced from PubChem (CID 177442441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).