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

C17H14Br2N2 — CID 10453976

IUPAC3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole
SMILESCC1(C)C(c2ccc(Br)cc2)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C17H14Br2N2/c1-17(2)15(11-3-7-13(18)8-4-11)20-21-16(17)12-5-9-14(19)10-6-12/h3-10H,1-2H3
InChIKeyZKUFAVODLQZZBZ-UHFFFAOYSA-N
MW406.12 g/mol
LogP5.44
Rot. Bonds2

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

3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole (PubChem CID 10453976) has the molecular formula C17H14Br2N2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole
PubChem CID10453976
Molecular FormulaC17H14Br2N2
Molecular Weight406.12 g/mol
Exact Mass403.95
IUPAC Name3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole
SMILESCC1(C)C(c2ccc(Br)cc2)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C17H14Br2N2/c1-17(2)15(11-3-7-13(18)8-4-11)20-21-16(17)12-5-9-14(19)10-6-12/h3-10H,1-2H3
InChIKeyZKUFAVODLQZZBZ-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

2-[(Z)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 50915177
2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52950037
(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine
CID 6894308
Methanone, (4-bromophenyl)phenyl-, hydrazone
CID 5875652
3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563826
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
CID 70691665
Ethanone, hydrazone
CID 5380952
(E)-1-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]ethanimine
CID 9615498
(Z)-1-(4-bromophenyl)-N-[(Z)-(4-bromophenyl)methylideneamino]methanimine
CID 5644883
(1Z,2Z)-Bis(2-bromo-1-phenylethylidene)hydrazine
CID 6369603
(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925
(1-(4-Bromophenyl)ethylidene)hydrazine
CID 267965

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole (CID 10453976) is 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole is CC1(C)C(c2ccc(Br)cc2)=NN=C1c1ccc(Br)cc1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole?
The InChIKey is ZKUFAVODLQZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2/c1-17(2)15(11-3-7-13(18)8-4-11)20-21-16(17)12-5-9-14(19)10-6-12/h3-10H,1-2H3.
What are the key properties of 3,5-bis(4-bromophenyl)-4,4-dimethylpyrazole?
3,5-bis(4-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(4-bromophenyl)-4,4-dimethylpyrazole is sourced from PubChem (CID 10453976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).