4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine

C7H7BrN4S — CID 61177547

IUPAC4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine
SMILESCc1csc(-n2cc(Br)c(N)n2)n1
InChIInChI=1S/C7H7BrN4S/c1-4-3-13-7(10-4)12-2-5(8)6(9)11-12/h2-3H,1H3,(H2,9,11)
InChIKeyOVGSQGISBBQJSF-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.98
Rot. Bonds1

About 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine

4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine (PubChem CID 61177547) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine
PubChem CID61177547
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine
SMILESCc1csc(-n2cc(Br)c(N)n2)n1
InChIInChI=1S/C7H7BrN4S/c1-4-3-13-7(10-4)12-2-5(8)6(9)11-12/h2-3H,1H3,(H2,9,11)
InChIKeyOVGSQGISBBQJSF-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine (CID 61177547) is 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine is Cc1csc(-n2cc(Br)c(N)n2)n1.
What is the InChIKey of 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine?
The InChIKey is OVGSQGISBBQJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c1-4-3-13-7(10-4)12-2-5(8)6(9)11-12/h2-3H,1H3,(H2,9,11).
What are the key properties of 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine?
4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine has a molecular weight of 259.13 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine is sourced from PubChem (CID 61177547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).