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

C12H10BrN3S2 — CID 55079033

IUPAC3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cccs2)c1N
InChIInChI=1S/C12H10BrN3S2/c1-16-12(14)10(7-3-2-6-17-7)11(15-16)8-4-5-9(13)18-8/h2-6H,14H2,1H3
InChIKeyXZAQEBBVECDOHP-UHFFFAOYSA-N
MW340.27 g/mol
LogP4.22
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 55079033) has the molecular formula C12H10BrN3S2 and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID55079033
Molecular FormulaC12H10BrN3S2
Molecular Weight340.27 g/mol
Exact Mass338.95
IUPAC Name3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cccs2)c1N
InChIInChI=1S/C12H10BrN3S2/c1-16-12(14)10(7-3-2-6-17-7)11(15-16)8-4-5-9(13)18-8/h2-6H,14H2,1H3
InChIKeyXZAQEBBVECDOHP-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 55079033) is 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2ccc(Br)s2)c(-c2cccs2)c1N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is XZAQEBBVECDOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S2/c1-16-12(14)10(7-3-2-6-17-7)11(15-16)8-4-5-9(13)18-8/h2-6H,14H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 340.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 55079033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).