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

C24H20Br2N2 — CID 19587237

IUPAC3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(Br)cc2)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2N2/c1-3-17-6-4-5-7-22(17)28-24(19-10-14-21(26)15-11-19)16(2)23(27-28)18-8-12-20(25)13-9-18/h4-15H,3H2,1-2H3
InChIKeyNASWSHOVCFCXDH-UHFFFAOYSA-N
MW496.25 g/mol
LogP7.60
Rot. Bonds4

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

3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole (PubChem CID 19587237) has the molecular formula C24H20Br2N2 and a molecular weight of 496.25 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole
PubChem CID19587237
Molecular FormulaC24H20Br2N2
Molecular Weight496.25 g/mol
Exact Mass494.00
IUPAC Name3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(Br)cc2)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2N2/c1-3-17-6-4-5-7-22(17)28-24(19-10-14-21(26)15-11-19)16(2)23(27-28)18-8-12-20(25)13-9-18/h4-15H,3H2,1-2H3
InChIKeyNASWSHOVCFCXDH-UHFFFAOYSA-N
XLogP7.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.25
LogP ≤ 57.60
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-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole (CID 19587237) is 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole is CCc1ccccc1-n1nc(-c2ccc(Br)cc2)c(C)c1-c1ccc(Br)cc1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
The InChIKey is NASWSHOVCFCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2N2/c1-3-17-6-4-5-7-22(17)28-24(19-10-14-21(26)15-11-19)16(2)23(27-28)18-8-12-20(25)13-9-18/h4-15H,3H2,1-2H3.
What are the key properties of 3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole?
3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole has a molecular weight of 496.25 g/mol, XLogP of 7.60, 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-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole is sourced from PubChem (CID 19587237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).