[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine

C9H11N3O — CID 28808604

IUPAC[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine
SMILESCn1nc(CN)cc1-c1ccco1
InChIInChI=1S/C9H11N3O/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6,10H2,1H3
InChIKeyKSJFYANVAAIXER-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.14
Rot. Bonds2

About [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine

[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 28808604) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine
PubChem CID28808604
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine
SMILESCn1nc(CN)cc1-c1ccco1
InChIInChI=1S/C9H11N3O/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6,10H2,1H3
InChIKeyKSJFYANVAAIXER-UHFFFAOYSA-N
XLogP1.14
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine (CID 28808604) is [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine is Cn1nc(CN)cc1-c1ccco1.
What is the InChIKey of [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is KSJFYANVAAIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine?
[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 28808604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).