5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine

C8H9N3O — CID 24696558

IUPAC5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1cc(N)n[nH]1
InChIInChI=1S/C8H9N3O/c1-5-6(2-3-12-5)7-4-8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)
InChIKeyQCYKAHHHXZBTIF-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.56
Rot. Bonds1

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

5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 24696558) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID24696558
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1cc(N)n[nH]1
InChIInChI=1S/C8H9N3O/c1-5-6(2-3-12-5)7-4-8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)
InChIKeyQCYKAHHHXZBTIF-UHFFFAOYSA-N
XLogP1.56
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 24696558) is 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1occc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is QCYKAHHHXZBTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-6(2-3-12-5)7-4-8(9)11-10-7/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 163.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 24696558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).