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

C14H21N3O — CID 104789926

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCc1cc(CC(NC)c2ccoc2C)n(C)n1
InChIInChI=1S/C14H21N3O/c1-5-11-8-12(17(4)16-11)9-14(15-3)13-6-7-18-10(13)2/h6-8,14-15H,5,9H2,1-4H3
InChIKeyNZVUSJBDUALATL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds5

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

2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104789926) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104789926
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCc1cc(CC(NC)c2ccoc2C)n(C)n1
InChIInChI=1S/C14H21N3O/c1-5-11-8-12(17(4)16-11)9-14(15-3)13-6-7-18-10(13)2/h6-8,14-15H,5,9H2,1-4H3
InChIKeyNZVUSJBDUALATL-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269230
[1-(2-chlorofuran-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 106694523
[2-(1,3-diethylpyrazol-5-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269153
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999166
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789867
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 104999107
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221468
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (CID 104789926) is 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is CCc1cc(CC(NC)c2ccoc2C)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is NZVUSJBDUALATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-11-8-12(17(4)16-11)9-14(15-3)13-6-7-18-10(13)2/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).