3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole

C28H30N2 — CID 17025558

IUPAC3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
SMILESCc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)c(C)c3)c2C)cc1C
InChIInChI=1S/C28H30N2/c1-18-11-13-24(15-21(18)4)27-23(6)28(25-14-12-19(2)22(5)16-25)30(29-27)17-26-10-8-7-9-20(26)3/h7-16H,17H2,1-6H3
InChIKeySCNATUKFBGTCBO-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.12
Rot. Bonds4

About 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole

3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole (PubChem CID 17025558) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
PubChem CID17025558
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
SMILESCc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)c(C)c3)c2C)cc1C
InChIInChI=1S/C28H30N2/c1-18-11-13-24(15-21(18)4)27-23(6)28(25-14-12-19(2)22(5)16-25)30(29-27)17-26-10-8-7-9-20(26)3/h7-16H,17H2,1-6H3
InChIKeySCNATUKFBGTCBO-UHFFFAOYSA-N
XLogP7.12
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 ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 19587205
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 17025548
3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole
CID 17025689
3,5-bis(3,4-dimethylphenyl)-1-[(4-ethenylphenyl)methyl]-4-methylpyrazole
CID 17025686
4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole
CID 17025643
1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)-4-methylpyrazole
CID 19587568
1-[[3,5-bis(3,4-dimethylphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19587539
4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]pyrazole
CID 19586978
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 17025532
5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
CID 66014891
4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
CID 19586992

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole (CID 17025558) is 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole is Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)c(C)c3)c2C)cc1C.
What is the InChIKey of 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The InChIKey is SCNATUKFBGTCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-18-11-13-24(15-21(18)4)27-23(6)28(25-14-12-19(2)22(5)16-25)30(29-27)17-26-10-8-7-9-20(26)3/h7-16H,17H2,1-6H3.
What are the key properties of 3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole has a molecular weight of 394.56 g/mol, XLogP of 7.12, 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)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 17025558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).