5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

C13H11BrN4S — CID 80521102

IUPAC5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccn2)sc1Br
InChIInChI=1S/C13H11BrN4S/c1-7-6-9(19-12(7)14)11-10(13(15)18-17-11)8-4-2-3-5-16-8/h2-6H,1H3,(H3,15,17,18)
InChIKeyUULXLEGWZAZZAG-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.85
Rot. Bonds2

About 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 80521102) has the molecular formula C13H11BrN4S and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID80521102
Molecular FormulaC13H11BrN4S
Molecular Weight335.23 g/mol
Exact Mass333.99
IUPAC Name5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccn2)sc1Br
InChIInChI=1S/C13H11BrN4S/c1-7-6-9(19-12(7)14)11-10(13(15)18-17-11)8-4-2-3-5-16-8/h2-6H,1H3,(H3,15,17,18)
InChIKeyUULXLEGWZAZZAG-UHFFFAOYSA-N
XLogP3.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 80521102) is 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccccn2)sc1Br.
What is the InChIKey of 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is UULXLEGWZAZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4S/c1-7-6-9(19-12(7)14)11-10(13(15)18-17-11)8-4-2-3-5-16-8/h2-6H,1H3,(H3,15,17,18).
What are the key properties of 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 335.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).