2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one

C27H17BrN4OS — CID 2869305

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1c(C=C2C=Nc3ccccc32)c(-c2ccccc2)[nH]n1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C27H17BrN4OS/c28-20-12-10-17(11-13-20)24-16-34-27(30-24)32-26(33)22(25(31-32)18-6-2-1-3-7-18)14-19-15-29-23-9-5-4-8-21(19)23/h1-16,31H
InChIKeyMBQPGOMOFZSEFB-UHFFFAOYSA-N
MW525.43 g/mol
LogP6.98
Rot. Bonds4

About 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 2869305) has the molecular formula C27H17BrN4OS and a molecular weight of 525.43 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID2869305
Molecular FormulaC27H17BrN4OS
Molecular Weight525.43 g/mol
Exact Mass524.03
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1c(C=C2C=Nc3ccccc32)c(-c2ccccc2)[nH]n1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C27H17BrN4OS/c28-20-12-10-17(11-13-20)24-16-34-27(30-24)32-26(33)22(25(31-32)18-6-2-1-3-7-18)14-19-15-29-23-9-5-4-8-21(19)23/h1-16,31H
InChIKeyMBQPGOMOFZSEFB-UHFFFAOYSA-N
XLogP6.98
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.43
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(indol-3-ylidenemethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrazol-3-one
CID 27877235
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 2841624
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxo-5-phenyl-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 3731525
3-(4-bromophenyl)-2-cyano-3-[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]propanamide
CID 2864963
4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 723084
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2,4,6-tribromophenyl)diazenyl]-1H-pyrazol-3-one
CID 4224477
5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one
CID 142488254
4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzaldehyde
CID 168958634
4-[(3-bromo-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 3332411
2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]-1,3-thiazole-4-carboxylic acid
CID 142488271
1-(4-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135447230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one (CID 2869305) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one is O=c1c(C=C2C=Nc3ccccc32)c(-c2ccccc2)[nH]n1-c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is MBQPGOMOFZSEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrN4OS/c28-20-12-10-17(11-13-20)24-16-34-27(30-24)32-26(33)22(25(31-32)18-6-2-1-3-7-18)14-19-15-29-23-9-5-4-8-21(19)23/h1-16,31H.
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 525.43 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 2869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).