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

C24H20F2N2 — CID 19587375

IUPAC1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESCc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20F2N2/c1-16-3-4-17(2)20(13-16)15-28-24(19-7-11-22(26)12-8-19)14-23(27-28)18-5-9-21(25)10-6-18/h3-14H,15H2,1-2H3
InChIKeyDVJNELFMNVNVHF-UHFFFAOYSA-N
MW374.43 g/mol
LogP6.16
Rot. Bonds4

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

1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (PubChem CID 19587375) has the molecular formula C24H20F2N2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
PubChem CID19587375
Molecular FormulaC24H20F2N2
Molecular Weight374.43 g/mol
Exact Mass374.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESCc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20F2N2/c1-16-3-4-17(2)20(13-16)15-28-24(19-7-11-22(26)12-8-19)14-23(27-28)18-5-9-21(25)10-6-18/h3-14H,15H2,1-2H3
InChIKeyDVJNELFMNVNVHF-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 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (CID 19587375) is 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is Cc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The InChIKey is DVJNELFMNVNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2/c1-16-3-4-17(2)20(13-16)15-28-24(19-7-11-22(26)12-8-19)14-23(27-28)18-5-9-21(25)10-6-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)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 1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is sourced from PubChem (CID 19587375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).