2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C10H13N3O — CID 43662572

IUPAC2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESc1coc(CCNCc2ccn[nH]2)c1
InChIInChI=1S/C10H13N3O/c1-2-10(14-7-1)4-5-11-8-9-3-6-12-13-9/h1-3,6-7,11H,4-5,8H2,(H,12,13)
InChIKeyWBRSAEGZQHMTHI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds5

About 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 43662572) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID43662572
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESc1coc(CCNCc2ccn[nH]2)c1
InChIInChI=1S/C10H13N3O/c1-2-10(14-7-1)4-5-11-8-9-3-6-12-13-9/h1-3,6-7,11H,4-5,8H2,(H,12,13)
InChIKeyWBRSAEGZQHMTHI-UHFFFAOYSA-N
XLogP1.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(furan-2-yl)butyl]-1H-pyrazole
CID 90744914
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408059
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
3-phenoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 55068927
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 43662572) is 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is c1coc(CCNCc2ccn[nH]2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is WBRSAEGZQHMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-10(14-7-1)4-5-11-8-9-3-6-12-13-9/h1-3,6-7,11H,4-5,8H2,(H,12,13).
What are the key properties of 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 43662572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).