N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

C17H31N3O — CID 114655232

IUPACN-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1CC)C1CCC(CC)CC1
InChIInChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16(18-6-2)17-15(21-4)12-19-20(17)7-3/h12-14,16,18H,5-11H2,1-4H3
InChIKeyPLOTYDMNCYCCIY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.78
Rot. Bonds7

About N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (PubChem CID 114655232) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
PubChem CID114655232
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1CC)C1CCC(CC)CC1
InChIInChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16(18-6-2)17-15(21-4)12-19-20(17)7-3/h12-14,16,18H,5-11H2,1-4H3
InChIKeyPLOTYDMNCYCCIY-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

[(3-ethylcyclopentyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105233464
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 114655546
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182788
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (CID 114655232) is N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is CCNC(c1c(OC)cnn1CC)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The InChIKey is PLOTYDMNCYCCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16(18-6-2)17-15(21-4)12-19-20(17)7-3/h12-14,16,18H,5-11H2,1-4H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114655232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).