1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine

C14H21N3O — CID 82694208

IUPAC1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCCc1cc(CC)n(Cc2ccc(CNC)o2)n1
InChIInChI=1S/C14H21N3O/c1-4-11-8-12(5-2)17(16-11)10-14-7-6-13(18-14)9-15-3/h6-8,15H,4-5,9-10H2,1-3H3
InChIKeyJGLHGUCFZQDLGF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds6

About 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine

1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 82694208) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID82694208
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCCc1cc(CC)n(Cc2ccc(CNC)o2)n1
InChIInChI=1S/C14H21N3O/c1-4-11-8-12(5-2)17(16-11)10-14-7-6-13(18-14)9-15-3/h6-8,15H,4-5,9-10H2,1-3H3
InChIKeyJGLHGUCFZQDLGF-UHFFFAOYSA-N
XLogP2.37
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine (CID 82694208) is 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine is CCc1cc(CC)n(Cc2ccc(CNC)o2)n1.
What is the InChIKey of 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is JGLHGUCFZQDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-11-8-12(5-2)17(16-11)10-14-7-6-13(18-14)9-15-3/h6-8,15H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-diethylpyrazol-1-yl)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82694208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).