3-(furan-2-yl)-1-methylpyrazol-4-amine

C8H9N3O — CID 83216523

IUPAC3-(furan-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccco2)n1
InChIInChI=1S/C8H9N3O/c1-11-5-6(9)8(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKeyQGDGKWXXULMTKR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.26
Rot. Bonds1

About 3-(furan-2-yl)-1-methylpyrazol-4-amine

3-(furan-2-yl)-1-methylpyrazol-4-amine (PubChem CID 83216523) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methylpyrazol-4-amine
PubChem CID83216523
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-(furan-2-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccco2)n1
InChIInChI=1S/C8H9N3O/c1-11-5-6(9)8(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKeyQGDGKWXXULMTKR-UHFFFAOYSA-N
XLogP1.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-1-methylpyrazol-4-amine (CID 83216523) is 3-(furan-2-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-c2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-1-methylpyrazol-4-amine?
The InChIKey is QGDGKWXXULMTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-5-6(9)8(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-methylpyrazol-4-amine?
3-(furan-2-yl)-1-methylpyrazol-4-amine has a molecular weight of 163.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 83216523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).