2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine

C14H20ClN3O — CID 104789867

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccoc2C)c1Cl
InChIInChI=1S/C14H20ClN3O/c1-5-11-14(15)13(18(4)17-11)8-12(16-3)10-6-7-19-9(10)2/h6-7,12,16H,5,8H2,1-4H3
InChIKeyUEKZMVXRSDPVSP-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104789867) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104789867
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccoc2C)c1Cl
InChIInChI=1S/C14H20ClN3O/c1-5-11-14(15)13(18(4)17-11)8-12(16-3)10-6-7-19-9(10)2/h6-7,12,16H,5,8H2,1-4H3
InChIKeyUEKZMVXRSDPVSP-UHFFFAOYSA-N
XLogP3.04
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 104998590
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107102608
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 106857947
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104998333
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105159900
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 115567182
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (CID 104789867) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is CCc1nn(C)c(CC(NC)c2ccoc2C)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is UEKZMVXRSDPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-5-11-14(15)13(18(4)17-11)8-12(16-3)10-6-7-19-9(10)2/h6-7,12,16H,5,8H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 281.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104789867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).