2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole

C25H18BrN3S — CID 71732963

IUPAC2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C25H18BrN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyKYDFHGCCDFAPGA-UHFFFAOYSA-N
MW472.41 g/mol
LogP7.40
Rot. Bonds4

About 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole

2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 71732963) has the molecular formula C25H18BrN3S and a molecular weight of 472.41 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID71732963
Molecular FormulaC25H18BrN3S
Molecular Weight472.41 g/mol
Exact Mass471.04
IUPAC Name2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C25H18BrN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyKYDFHGCCDFAPGA-UHFFFAOYSA-N
XLogP7.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.41
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
CID 71732867
2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
CID 3250858
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
3-(4-bromophenyl)-1-phenylpyrazol-4-ol
CID 99938057
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
1,3,4-triphenylpyrazole
CID 555882
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carbaldehyde
CID 71732594
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 4710356
(E)-N-[(E)-[1,3-bis(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-imine
CID 118734039

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 71732963) is 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is KYDFHGCCDFAPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 472.41 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 71732963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).