1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C13H19N3O — CID 80682343

IUPAC1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnn(C)c1)c1ccco1
InChIInChI=1S/C13H19N3O/c1-3-12(13-5-4-8-17-13)14-7-6-11-9-15-16(2)10-11/h4-5,8-10,12,14H,3,6-7H2,1-2H3
InChIKeyDAGPTDRRWFTWRW-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.30
Rot. Bonds6

About 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 80682343) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID80682343
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnn(C)c1)c1ccco1
InChIInChI=1S/C13H19N3O/c1-3-12(13-5-4-8-17-13)14-7-6-11-9-15-16(2)10-11/h4-5,8-10,12,14H,3,6-7H2,1-2H3
InChIKeyDAGPTDRRWFTWRW-UHFFFAOYSA-N
XLogP2.30
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62633572
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
3-[2-(1-methylpyrazol-4-yl)ethylamino]-3-phenylpropanenitrile
CID 80689488
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 80682343) is 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCC(NCCc1cnn(C)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is DAGPTDRRWFTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-12(13-5-4-8-17-13)14-7-6-11-9-15-16(2)10-11/h4-5,8-10,12,14H,3,6-7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 2.30, 6 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-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80682343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).