5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine

C7H6BrN3S — CID 82478306

IUPAC5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(Br)cs2)[nH]n1
InChIInChI=1S/C7H6BrN3S/c8-4-1-6(12-3-4)5-2-7(9)11-10-5/h1-3H,(H3,9,10,11)
InChIKeyNTODYYLSHCBINM-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.48
Rot. Bonds1

About 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine

5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 82478306) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID82478306
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(Br)cs2)[nH]n1
InChIInChI=1S/C7H6BrN3S/c8-4-1-6(12-3-4)5-2-7(9)11-10-5/h1-3H,(H3,9,10,11)
InChIKeyNTODYYLSHCBINM-UHFFFAOYSA-N
XLogP2.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine (CID 82478306) is 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc(Br)cs2)[nH]n1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is NTODYYLSHCBINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-4-1-6(12-3-4)5-2-7(9)11-10-5/h1-3H,(H3,9,10,11).
What are the key properties of 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine?
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 244.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82478306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).