3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine

C11H8BrN5S — CID 83222561

IUPAC3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ncccn2)nc1-c1ccc(Br)s1
InChIInChI=1S/C11H8BrN5S/c12-9-3-2-8(18-9)10-7(13)6-17(16-10)11-14-4-1-5-15-11/h1-6H,13H2
InChIKeyINMGZBHTUWOSSY-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.74
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine

3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine (PubChem CID 83222561) has the molecular formula C11H8BrN5S and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine
PubChem CID83222561
Molecular FormulaC11H8BrN5S
Molecular Weight322.19 g/mol
Exact Mass320.97
IUPAC Name3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ncccn2)nc1-c1ccc(Br)s1
InChIInChI=1S/C11H8BrN5S/c12-9-3-2-8(18-9)10-7(13)6-17(16-10)11-14-4-1-5-15-11/h1-6H,13H2
InChIKeyINMGZBHTUWOSSY-UHFFFAOYSA-N
XLogP2.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine (CID 83222561) is 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine is Nc1cn(-c2ncccn2)nc1-c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine?
The InChIKey is INMGZBHTUWOSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5S/c12-9-3-2-8(18-9)10-7(13)6-17(16-10)11-14-4-1-5-15-11/h1-6H,13H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine?
3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine has a molecular weight of 322.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-pyrimidin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).