3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine

C8H8BrN3O — CID 104653705

IUPAC3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccc(Br)o2)n1
InChIInChI=1S/C8H8BrN3O/c1-12-4-5(10)8(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3
InChIKeyUBVLWTGTQUTIJA-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.02
Rot. Bonds1

About 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine

3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine (PubChem CID 104653705) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine
PubChem CID104653705
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccc(Br)o2)n1
InChIInChI=1S/C8H8BrN3O/c1-12-4-5(10)8(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3
InChIKeyUBVLWTGTQUTIJA-UHFFFAOYSA-N
XLogP2.02
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine (CID 104653705) is 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-c2ccc(Br)o2)n1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine?
The InChIKey is UBVLWTGTQUTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-12-4-5(10)8(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine?
3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine has a molecular weight of 242.08 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 104653705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).