2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C13H19N3OS — CID 104694267

IUPAC2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCSCc1ccc(CNCCc2ccnn2C)o1
InChIInChI=1S/C13H19N3OS/c1-16-11(6-8-15-16)5-7-14-9-12-3-4-13(17-12)10-18-2/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyVWJBAQNZTREIDV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.21
Rot. Bonds7

About 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 104694267) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID104694267
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCSCc1ccc(CNCCc2ccnn2C)o1
InChIInChI=1S/C13H19N3OS/c1-16-11(6-8-15-16)5-7-14-9-12-3-4-13(17-12)10-18-2/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyVWJBAQNZTREIDV-UHFFFAOYSA-N
XLogP2.21
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyridin-4-ylethanamine
CID 54944027
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694294
3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103268845
methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 63302632
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
2-(4-methylpiperidin-1-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 60957810
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 104694267) is 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is CSCc1ccc(CNCCc2ccnn2C)o1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is VWJBAQNZTREIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-11(6-8-15-16)5-7-14-9-12-3-4-13(17-12)10-18-2/h3-4,6,8,14H,5,7,9-10H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 104694267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).