N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C12H17N3O — CID 104627021

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCc1ccc(CNCCc2ccn(C)n2)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-12(16-10)9-13-7-5-11-6-8-15(2)14-11/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyNKARYOBUGVQOPS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.65
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 104627021) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID104627021
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCc1ccc(CNCCc2ccn(C)n2)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-12(16-10)9-13-7-5-11-6-8-15(2)14-11/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyNKARYOBUGVQOPS-UHFFFAOYSA-N
XLogP1.65
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 104626918
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
2-(1-methylpyrazol-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104627051
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882116
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
2-(1-methylpyrazol-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114143921
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104274

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 104627021) is N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is Cc1ccc(CNCCc2ccn(C)n2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is NKARYOBUGVQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-3-4-12(16-10)9-13-7-5-11-6-8-15(2)14-11/h3-4,6,8,13H,5,7,9H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104627021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).