1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

C12H17N3O — CID 104629058

IUPAC1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccco1
InChIInChI=1S/C12H17N3O/c1-10(12-4-3-9-16-12)13-7-5-11-6-8-15(2)14-11/h3-4,6,8-10,13H,5,7H2,1-2H3
InChIKeyANWYNTFDSFXZFB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.91
Rot. Bonds5

About 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 104629058) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID104629058
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccco1
InChIInChI=1S/C12H17N3O/c1-10(12-4-3-9-16-12)13-7-5-11-6-8-15(2)14-11/h3-4,6,8-10,13H,5,7H2,1-2H3
InChIKeyANWYNTFDSFXZFB-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629100
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62565271
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (CID 104629058) is 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is CC(NCCc1ccn(C)n1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is ANWYNTFDSFXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(12-4-3-9-16-12)13-7-5-11-6-8-15(2)14-11/h3-4,6,8-10,13H,5,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104629058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).