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

C19H15BrN4S — CID 1498378

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15BrN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKeyOOSKDJCSCKUBNR-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.32
Rot. Bonds3

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 1498378) has the molecular formula C19H15BrN4S and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID1498378
Molecular FormulaC19H15BrN4S
Molecular Weight411.33 g/mol
Exact Mass410.02
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15BrN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKeyOOSKDJCSCKUBNR-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 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine (CID 1498378) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is OOSKDJCSCKUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)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 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 1498378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).