[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine

C14H15N3O — CID 55035840

IUPAC[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCCc1c(-c2cc(CN)[nH]n2)oc2ccccc12
InChIInChI=1S/C14H15N3O/c1-2-10-11-5-3-4-6-13(11)18-14(10)12-7-9(8-15)16-17-12/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyMGGZPGUQXFJVNJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.84
Rot. Bonds3

About [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine

[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 55035840) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID55035840
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESCCc1c(-c2cc(CN)[nH]n2)oc2ccccc12
InChIInChI=1S/C14H15N3O/c1-2-10-11-5-3-4-6-13(11)18-14(10)12-7-9(8-15)16-17-12/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyMGGZPGUQXFJVNJ-UHFFFAOYSA-N
XLogP2.84
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine (CID 55035840) is [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine is CCc1c(-c2cc(CN)[nH]n2)oc2ccccc12.
What is the InChIKey of [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is MGGZPGUQXFJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-10-11-5-3-4-6-13(11)18-14(10)12-7-9(8-15)16-17-12/h3-7H,2,8,15H2,1H3,(H,16,17).
What are the key properties of [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine?
[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 241.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 55035840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).