N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine

C12H17N3O2 — CID 81341598

IUPACN-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1cc(C)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-3-13-7-11-10(4-5-16-11)8-17-12-6-9(2)14-15-12/h4-6,13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyDRALCKKSPILWJF-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.00
Rot. Bonds6

About N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine

N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine (PubChem CID 81341598) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
PubChem CID81341598
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1cc(C)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-3-13-7-11-10(4-5-16-11)8-17-12-6-9(2)14-15-12/h4-6,13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyDRALCKKSPILWJF-UHFFFAOYSA-N
XLogP2.00
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine (CID 81341598) is N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1cc(C)[nH]n1.
What is the InChIKey of N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine?
The InChIKey is DRALCKKSPILWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-13-7-11-10(4-5-16-11)8-17-12-6-9(2)14-15-12/h4-6,13H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 81341598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).