3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole

C17H15BrN2 — CID 141471214

IUPAC3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole
SMILESCC1(C)C(c2ccccc2)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2/c1-17(2)15(12-6-4-3-5-7-12)19-20-16(17)13-8-10-14(18)11-9-13/h3-11H,1-2H3
InChIKeyLTKKMFMNDMQWAZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.68
Rot. Bonds2

About 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole

3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole (PubChem CID 141471214) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole
PubChem CID141471214
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole
SMILESCC1(C)C(c2ccccc2)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2/c1-17(2)15(12-6-4-3-5-7-12)19-20-16(17)13-8-10-14(18)11-9-13/h3-11H,1-2H3
InChIKeyLTKKMFMNDMQWAZ-UHFFFAOYSA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.68
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
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
(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925
(1-(4-Bromophenyl)ethylidene)hydrazine
CID 267965
Methanone, (4-bromophenyl)phenyl-, oxime
CID 3484095
5,6-Bis(4-bromophenyl)-2,3-dihydropyrazine
CID 13171290
1,1'-(Diazomethylene)bis(4-bromobenzene)
CID 71358489

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole?
The IUPAC name of 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole (CID 141471214) is 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole?
The canonical SMILES for 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole is CC1(C)C(c2ccccc2)=NN=C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole?
The InChIKey is LTKKMFMNDMQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-17(2)15(12-6-4-3-5-7-12)19-20-16(17)13-8-10-14(18)11-9-13/h3-11H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole?
3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole has a molecular weight of 327.23 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,4-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 141471214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).