1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C13H19N3O — CID 113347984

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1occc1C
InChIInChI=1S/C13H19N3O/c1-4-12-11(9-16(3)15-12)7-14-8-13-10(2)5-6-17-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyAAGUKLRIIYOJAU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 113347984) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID113347984
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1occc1C
InChIInChI=1S/C13H19N3O/c1-4-12-11(9-16(3)15-12)7-14-8-13-10(2)5-6-17-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyAAGUKLRIIYOJAU-UHFFFAOYSA-N
XLogP2.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112549217
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112640155
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112549507
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096743

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 113347984) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is CCc1nn(C)cc1CNCc1occc1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is AAGUKLRIIYOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-12-11(9-16(3)15-12)7-14-8-13-10(2)5-6-17-13/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 113347984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).