1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine

C7H7BrN4S — CID 22062229

IUPAC1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine
SMILESNc1cnn(-c2cc(Br)cs2)c1N
InChIInChI=1S/C7H7BrN4S/c8-4-1-6(13-3-4)12-7(10)5(9)2-11-12/h1-3H,9-10H2
InChIKeyUUBFQYFCTQSPML-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.86
Rot. Bonds1

About 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine

1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine (PubChem CID 22062229) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine
PubChem CID22062229
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine
SMILESNc1cnn(-c2cc(Br)cs2)c1N
InChIInChI=1S/C7H7BrN4S/c8-4-1-6(13-3-4)12-7(10)5(9)2-11-12/h1-3H,9-10H2
InChIKeyUUBFQYFCTQSPML-UHFFFAOYSA-N
XLogP1.86
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine (CID 22062229) is 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine is Nc1cnn(-c2cc(Br)cs2)c1N.
What is the InChIKey of 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine?
The InChIKey is UUBFQYFCTQSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c8-4-1-6(13-3-4)12-7(10)5(9)2-11-12/h1-3H,9-10H2.
What are the key properties of 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine?
1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine has a molecular weight of 259.13 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 22062229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).