3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine

C12H9BrN4S — CID 107354928

IUPAC3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccn2)nc1-c1cc(Br)cs1
InChIInChI=1S/C12H9BrN4S/c13-8-5-10(18-7-8)12-9(14)6-17(16-12)11-3-1-2-4-15-11/h1-7H,14H2
InChIKeyFQMQNGMWUVPVDJ-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.34
Rot. Bonds2

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

3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine (PubChem CID 107354928) has the molecular formula C12H9BrN4S and a molecular weight of 321.20 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
PubChem CID107354928
Molecular FormulaC12H9BrN4S
Molecular Weight321.20 g/mol
Exact Mass319.97
IUPAC Name3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccn2)nc1-c1cc(Br)cs1
InChIInChI=1S/C12H9BrN4S/c13-8-5-10(18-7-8)12-9(14)6-17(16-12)11-3-1-2-4-15-11/h1-7H,14H2
InChIKeyFQMQNGMWUVPVDJ-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine (CID 107354928) is 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine is Nc1cn(-c2ccccn2)nc1-c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The InChIKey is FQMQNGMWUVPVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4S/c13-8-5-10(18-7-8)12-9(14)6-17(16-12)11-3-1-2-4-15-11/h1-7H,14H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine has a molecular weight of 321.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 107354928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).