(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

C14H21N3O — CID 100678259

IUPAC(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCc1cc([C@@H](C)NCCc2ccnn2C)c(C)o1
InChIInChI=1S/C14H21N3O/c1-10-9-14(12(3)18-10)11(2)15-7-5-13-6-8-16-17(13)4/h6,8-9,11,15H,5,7H2,1-4H3/t11-/m1/s1
InChIKeyLRVVTFJHOJXLJN-LLVKDONJSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds5

About (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 100678259) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID100678259
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCc1cc([C@@H](C)NCCc2ccnn2C)c(C)o1
InChIInChI=1S/C14H21N3O/c1-10-9-14(12(3)18-10)11(2)15-7-5-13-6-8-16-17(13)4/h6,8-9,11,15H,5,7H2,1-4H3/t11-/m1/s1
InChIKeyLRVVTFJHOJXLJN-LLVKDONJSA-N
XLogP2.52
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
CID 107715491
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 100678259) is (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is Cc1cc([C@@H](C)NCCc2ccnn2C)c(C)o1.
What is the InChIKey of (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is LRVVTFJHOJXLJN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-14(12(3)18-10)11(2)15-7-5-13-6-8-16-17(13)4/h6,8-9,11,15H,5,7H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 100678259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).