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

C24H20BrFN2 — CID 17025412

IUPAC4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C24H20BrFN2/c1-16-6-10-19(11-7-16)23-22(25)24(20-12-8-17(2)9-13-20)28(27-23)15-18-4-3-5-21(26)14-18/h3-14H,15H2,1-2H3
InChIKeyOEQQLQKDIFTCEU-UHFFFAOYSA-N
MW435.34 g/mol
LogP6.78
Rot. Bonds4

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

4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole (PubChem CID 17025412) has the molecular formula C24H20BrFN2 and a molecular weight of 435.34 g/mol. Its IUPAC name is 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
PubChem CID17025412
Molecular FormulaC24H20BrFN2
Molecular Weight435.34 g/mol
Exact Mass434.08
IUPAC Name4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C24H20BrFN2/c1-16-6-10-19(11-7-16)23-22(25)24(20-12-8-17(2)9-13-20)28(27-23)15-18-4-3-5-21(26)14-18/h3-14H,15H2,1-2H3
InChIKeyOEQQLQKDIFTCEU-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole (CID 17025412) is 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole is Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2Br)cc1.
What is the InChIKey of 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole?
The InChIKey is OEQQLQKDIFTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN2/c1-16-6-10-19(11-7-16)23-22(25)24(20-12-8-17(2)9-13-20)28(27-23)15-18-4-3-5-21(26)14-18/h3-14H,15H2,1-2H3.
What are the key properties of 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole?
4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole has a molecular weight of 435.34 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-fluorophenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 17025412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).