2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

C17H31N3O — CID 105048780

IUPAC2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(CC1CCCCC1)NCC
InChIInChI=1S/C17H31N3O/c1-4-11-20-17(16(21-3)13-19-20)15(18-5-2)12-14-9-7-6-8-10-14/h13-15,18H,4-12H2,1-3H3
InChIKeyLJLLFLJJLCVRKW-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.92
Rot. Bonds8

About 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (PubChem CID 105048780) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
PubChem CID105048780
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(CC1CCCCC1)NCC
InChIInChI=1S/C17H31N3O/c1-4-11-20-17(16(21-3)13-19-20)15(18-5-2)12-14-9-7-6-8-10-14/h13-15,18H,4-12H2,1-3H3
InChIKeyLJLLFLJJLCVRKW-UHFFFAOYSA-N
XLogP3.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
[2-cyclohexylsulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethyl]hydrazine
CID 105227824
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (CID 105048780) is 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(OC)c1C(CC1CCCCC1)NCC.
What is the InChIKey of 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is LJLLFLJJLCVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-11-20-17(16(21-3)13-19-20)15(18-5-2)12-14-9-7-6-8-10-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105048780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).