[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine

C9H11N3O — CID 62447546

IUPAC[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine
SMILESNCc1occc1Cn1cccn1
InChIInChI=1S/C9H11N3O/c10-6-9-8(2-5-13-9)7-12-4-1-3-11-12/h1-5H,6-7,10H2
InChIKeyHFKMHUWGPJUUTE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds3

About [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine

[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine (PubChem CID 62447546) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine
PubChem CID62447546
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine
SMILESNCc1occc1Cn1cccn1
InChIInChI=1S/C9H11N3O/c10-6-9-8(2-5-13-9)7-12-4-1-3-11-12/h1-5H,6-7,10H2
InChIKeyHFKMHUWGPJUUTE-UHFFFAOYSA-N
XLogP0.98
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(pyrazol-1-ylmethyl)furan-2-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-(pyrazol-1-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine (CID 62447546) is [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine is NCc1occc1Cn1cccn1.
What is the InChIKey of [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine?
The InChIKey is HFKMHUWGPJUUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-6-9-8(2-5-13-9)7-12-4-1-3-11-12/h1-5H,6-7,10H2.
What are the key properties of [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine?
[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62447546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).