3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole

C17H14Br2N2 — CID 139244815

IUPAC3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole
SMILESCC1(C)C(c2cccc(Br)c2)=NN=C1c1cccc(Br)c1
InChIInChI=1S/C17H14Br2N2/c1-17(2)15(11-5-3-7-13(18)9-11)20-21-16(17)12-6-4-8-14(19)10-12/h3-10H,1-2H3
InChIKeyDWXOUECVLOSGEK-UHFFFAOYSA-N
MW406.12 g/mol
LogP5.44
Rot. Bonds2

About 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole

3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole (PubChem CID 139244815) has the molecular formula C17H14Br2N2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole
PubChem CID139244815
Molecular FormulaC17H14Br2N2
Molecular Weight406.12 g/mol
Exact Mass403.95
IUPAC Name3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole
SMILESCC1(C)C(c2cccc(Br)c2)=NN=C1c1cccc(Br)c1
InChIInChI=1S/C17H14Br2N2/c1-17(2)15(11-5-3-7-13(18)9-11)20-21-16(17)12-6-4-8-14(19)10-12/h3-10H,1-2H3
InChIKeyDWXOUECVLOSGEK-UHFFFAOYSA-N
XLogP5.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.12
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 90668198
CID 90668198
Methanone, (4-bromophenyl)phenyl-, hydrazone
CID 5875652
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(E)-1-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]ethanimine
CID 9615498
(1Z,2Z)-Bis(2-bromo-1-phenylethylidene)hydrazine
CID 6369603
(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925
1,1'-(Diazomethylene)bis(4-bromobenzene)
CID 71358489
(4-Bromophenyl)phenyldiazo-methane
CID 129750846
(3-Bromophenyl)-(4-fluorophenyl)methanimine
CID 87177690
(3-Bromo-2-fluorophenyl)-phenylmethanimine
CID 145556150
4,4-Dimethyl-3,5-diphenyl-4H-pyrazole
CID 300340
3,5-Bis(4-bromophenyl)-4,4-dimethylpyrazole
CID 10453976

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole (CID 139244815) is 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole is CC1(C)C(c2cccc(Br)c2)=NN=C1c1cccc(Br)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole?
The InChIKey is DWXOUECVLOSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2/c1-17(2)15(11-5-3-7-13(18)9-11)20-21-16(17)12-6-4-8-14(19)10-12/h3-10H,1-2H3.
What are the key properties of 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole?
3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole has a molecular weight of 406.12 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)-4,4-dimethylpyrazole is sourced from PubChem (CID 139244815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).