1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

C13H18ClN3O — CID 106692336

IUPAC1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccoc1Cl
InChIInChI=1S/C13H18ClN3O/c1-4-15-12(11-5-6-18-13(11)14)8-10-7-9(2)16-17(10)3/h5-7,12,15H,4,8H2,1-3H3
InChIKeyUKMDFGXBHWRJJL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (PubChem CID 106692336) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
PubChem CID106692336
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccoc1Cl
InChIInChI=1S/C13H18ClN3O/c1-4-15-12(11-5-6-18-13(11)14)8-10-7-9(2)16-17(10)3/h5-7,12,15H,4,8H2,1-3H3
InChIKeyUKMDFGXBHWRJJL-UHFFFAOYSA-N
XLogP2.87
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
[1-(2-chlorofuran-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 106694523
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996026
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
1-(2-chlorofuran-3-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106688072
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (CID 106692336) is 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is CCNC(Cc1cc(C)nn1C)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The InChIKey is UKMDFGXBHWRJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-15-12(11-5-6-18-13(11)14)8-10-7-9(2)16-17(10)3/h5-7,12,15H,4,8H2,1-3H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine has a molecular weight of 267.76 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 106692336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).