1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole

C31H25BrN4 — CID 118734047

IUPAC1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25BrN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-18-16-25(32)17-19-26)30-20-29(23-8-4-2-5-9-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3
InChIKeyLQKUQKQNPITIRF-UHFFFAOYSA-N
MW533.47 g/mol
LogP7.97
Rot. Bonds5

About 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole

1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole (PubChem CID 118734047) has the molecular formula C31H25BrN4 and a molecular weight of 533.47 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
PubChem CID118734047
Molecular FormulaC31H25BrN4
Molecular Weight533.47 g/mol
Exact Mass532.13
IUPAC Name1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25BrN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-18-16-25(32)17-19-26)30-20-29(23-8-4-2-5-9-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3
InChIKeyLQKUQKQNPITIRF-UHFFFAOYSA-N
XLogP7.97
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.47
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462
3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid
CID 158065196
4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
CID 25321666
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
(5-bromofuran-2-yl)-[(3R)-5-(4-bromophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]methanone
CID 99667381
1-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 3653282
4-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 40989243
2-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 46497600
(4-bromophenyl)-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7155110
4-[(3S)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1123665
4-[5-(3,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 155812867
[(3R)-5-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57394186

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole?
The IUPAC name of 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole (CID 118734047) is 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole?
The canonical SMILES for 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole is Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole?
The InChIKey is LQKUQKQNPITIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25BrN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-18-16-25(32)17-19-26)30-20-29(23-8-4-2-5-9-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole?
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole has a molecular weight of 533.47 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole is sourced from PubChem (CID 118734047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).