3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole

C28H30N2 — CID 17025689

IUPAC3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(C)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C28H30N2/c1-7-23-10-8-9-11-26(23)30-28(25-15-13-19(3)21(5)17-25)22(6)27(29-30)24-14-12-18(2)20(4)16-24/h8-17H,7H2,1-6H3
InChIKeyRDBSURLAVHJHTO-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.31
Rot. Bonds4

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

3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole (PubChem CID 17025689) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole
PubChem CID17025689
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(C)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C28H30N2/c1-7-23-10-8-9-11-26(23)30-28(25-15-13-19(3)21(5)17-25)22(6)27(29-30)24-14-12-18(2)20(4)16-24/h8-17H,7H2,1-6H3
InChIKeyRDBSURLAVHJHTO-UHFFFAOYSA-N
XLogP7.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole
CID 19587237
5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
CID 82195119
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 17025558
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 19587205
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
5-(3,4-dimethylphenyl)-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198214
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 17025548
1-[[3,5-bis(3,4-dimethylphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19587539
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The IUPAC name of 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole (CID 17025689) is 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole.
What is the SMILES notation for 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The canonical SMILES for 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole is CCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(C)c1-c1ccc(C)c(C)c1.
What is the InChIKey of 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The InChIKey is RDBSURLAVHJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-7-23-10-8-9-11-26(23)30-28(25-15-13-19(3)21(5)17-25)22(6)27(29-30)24-14-12-18(2)20(4)16-24/h8-17H,7H2,1-6H3.
What are the key properties of 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole has a molecular weight of 394.56 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole is sourced from PubChem (CID 17025689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).