3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine

C18H12BrClN4S — CID 1498365

IUPAC3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12BrClN4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKeyXQPLRLDYXGUXDB-UHFFFAOYSA-N
MW431.75 g/mol
LogP5.66
Rot. Bonds3

About 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine

3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (PubChem CID 1498365) has the molecular formula C18H12BrClN4S and a molecular weight of 431.75 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
PubChem CID1498365
Molecular FormulaC18H12BrClN4S
Molecular Weight431.75 g/mol
Exact Mass429.97
IUPAC Name3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12BrClN4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKeyXQPLRLDYXGUXDB-UHFFFAOYSA-N
XLogP5.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (CID 1498365) is 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The InChIKey is XQPLRLDYXGUXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2.
What are the key properties of 3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
3-(4-bromophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine has a molecular weight of 431.75 g/mol, XLogP of 5.66, 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-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is sourced from PubChem (CID 1498365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).