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

C24H20F2N2 — CID 17025447

IUPAC3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
SMILESCc1ccccc1Cn1nc(-c2ccc(F)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H20F2N2/c1-16-5-3-4-6-20(16)15-28-24(19-9-13-22(26)14-10-19)17(2)23(27-28)18-7-11-21(25)12-8-18/h3-14H,15H2,1-2H3
InChIKeyPYWBYRIEYAZICW-UHFFFAOYSA-N
MW374.43 g/mol
LogP6.16
Rot. Bonds4

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

3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole (PubChem CID 17025447) has the molecular formula C24H20F2N2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
PubChem CID17025447
Molecular FormulaC24H20F2N2
Molecular Weight374.43 g/mol
Exact Mass374.16
IUPAC Name3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
SMILESCc1ccccc1Cn1nc(-c2ccc(F)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H20F2N2/c1-16-5-3-4-6-20(16)15-28-24(19-9-13-22(26)14-10-19)17(2)23(27-28)18-7-11-21(25)12-8-18/h3-14H,15H2,1-2H3
InChIKeyPYWBYRIEYAZICW-UHFFFAOYSA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole (CID 17025447) is 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole is Cc1ccccc1Cn1nc(-c2ccc(F)cc2)c(C)c1-c1ccc(F)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
The InChIKey is PYWBYRIEYAZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2/c1-16-5-3-4-6-20(16)15-28-24(19-9-13-22(26)14-10-19)17(2)23(27-28)18-7-11-21(25)12-8-18/h3-14H,15H2,1-2H3.
What are the key properties of 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole?
3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole has a molecular weight of 374.43 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 17025447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).