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

C19H15BrN4S — CID 1498369

IUPAC3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1
InChIInChI=1S/C19H15BrN4S/c1-12-2-4-14(5-3-12)17-11-25-19(22-17)24-18(21)10-16(23-24)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3
InChIKeyULEWLIZRTPXJCO-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.32
Rot. Bonds3

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

3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (PubChem CID 1498369) has the molecular formula C19H15BrN4S and a molecular weight of 411.33 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
PubChem CID1498369
Molecular FormulaC19H15BrN4S
Molecular Weight411.33 g/mol
Exact Mass410.02
IUPAC Name3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1
InChIInChI=1S/C19H15BrN4S/c1-12-2-4-14(5-3-12)17-11-25-19(22-17)24-18(21)10-16(23-24)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3
InChIKeyULEWLIZRTPXJCO-UHFFFAOYSA-N
XLogP5.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 55.32
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-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (CID 1498369) is 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is Cc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The InChIKey is ULEWLIZRTPXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4S/c1-12-2-4-14(5-3-12)17-11-25-19(22-17)24-18(21)10-16(23-24)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
3-(4-bromophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine has a molecular weight of 411.33 g/mol, XLogP of 5.32, 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-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is sourced from PubChem (CID 1498369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).