N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine

C15H27N3 — CID 102811928

IUPACN-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1CC)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-4-14-13(11-18(3)17-14)15(16-5-2)12-9-7-6-8-10-12/h11-12,15-16H,4-10H2,1-3H3
InChIKeyIJIITUBPAWAJMU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds5

About N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine

N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 102811928) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID102811928
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1CC)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-4-14-13(11-18(3)17-14)15(16-5-2)12-9-7-6-8-10-12/h11-12,15-16H,4-10H2,1-3H3
InChIKeyIJIITUBPAWAJMU-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
[(3-ethyl-1-methylpyrazol-4-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 102813120
[(4-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 102813126
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
2-(cyclopropylamino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670719
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine (CID 102811928) is N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)nc1CC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is IJIITUBPAWAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-14-13(11-18(3)17-14)15(16-5-2)12-9-7-6-8-10-12/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 102811928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).