3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

C18H13BrN4S — CID 1498364

IUPAC3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13BrN4S/c19-14-8-6-13(7-9-14)15-10-17(20)23(22-15)18-21-16(11-24-18)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyFBOHUSPCPCMHGJ-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.01
Rot. Bonds3

About 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 1498364) has the molecular formula C18H13BrN4S and a molecular weight of 397.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID1498364
Molecular FormulaC18H13BrN4S
Molecular Weight397.30 g/mol
Exact Mass396.00
IUPAC Name3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13BrN4S/c19-14-8-6-13(7-9-14)15-10-17(20)23(22-15)18-21-16(11-24-18)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyFBOHUSPCPCMHGJ-UHFFFAOYSA-N
XLogP5.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 388615
CID 388615
CID 100592
CID 100592
CID 986333
CID 986333
CID 1498367
CID 1498367
CID 3057627
CID 3057627
CID 1498382
CID 1498382
CID 164622859
CID 164622859
CID 1472655
CID 1472655
CID 1498356
CID 1498356
CID 1498360
CID 1498360
CID 1498365
CID 1498365
CID 1498369
CID 1498369

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (CID 1498364) is 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is FBOHUSPCPCMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4S/c19-14-8-6-13(7-9-14)15-10-17(20)23(22-15)18-21-16(11-24-18)12-4-2-1-3-5-12/h1-11H,20H2.
What are the key properties of 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 397.30 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 1498364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).