4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine

C13H20N4O — CID 62207198

IUPAC4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(CN(C)Cc2ccoc2)c(C)nn1C
InChIInChI=1S/C13H20N4O/c1-10-12(13(14-2)17(4)15-10)8-16(3)7-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyMUIJMTNGZDOTLI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.00
Rot. Bonds5

About 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine

4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 62207198) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID62207198
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(CN(C)Cc2ccoc2)c(C)nn1C
InChIInChI=1S/C13H20N4O/c1-10-12(13(14-2)17(4)15-10)8-16(3)7-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyMUIJMTNGZDOTLI-UHFFFAOYSA-N
XLogP2.00
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine (CID 62207198) is 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine is CNc1c(CN(C)Cc2ccoc2)c(C)nn1C.
What is the InChIKey of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is MUIJMTNGZDOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-12(13(14-2)17(4)15-10)8-16(3)7-11-5-6-18-9-11/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine?
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 62207198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).