1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

C12H17N3O — CID 115858790

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2ccnn2C)o1
InChIInChI=1S/C12H17N3O/c1-4-9-5-6-11(16-9)12(13-2)10-7-8-14-15(10)3/h5-8,12-13H,4H2,1-3H3
InChIKeyLOQPBLDFNKTQRN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115858790) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115858790
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCc1ccc(C(NC)c2ccnn2C)o1
InChIInChI=1S/C12H17N3O/c1-4-9-5-6-11(16-9)12(13-2)10-7-8-14-15(10)3/h5-8,12-13H,4H2,1-3H3
InChIKeyLOQPBLDFNKTQRN-UHFFFAOYSA-N
XLogP1.88
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962866
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62345338
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 62344802
1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857997
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
[(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307526
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
N-methyl-1-(2-methylpyrazol-3-yl)-1-pyrimidin-4-ylmethanamine
CID 63990408
[(5-ethylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288754
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841118

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (CID 115858790) is 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is CCc1ccc(C(NC)c2ccnn2C)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is LOQPBLDFNKTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-9-5-6-11(16-9)12(13-2)10-7-8-14-15(10)3/h5-8,12-13H,4H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115858790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).