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

C15H27N3 — CID 65195064

IUPACN-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C15H27N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeySCPIWWLTASAKMP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds5

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

N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 65195064) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID65195064
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C15H27N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeySCPIWWLTASAKMP-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195450
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992274
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 65195064) is N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SCPIWWLTASAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65195064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).