N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine

C18H33N3 — CID 105154223

IUPACN-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)nn1CC)C1CC(C)CC(C)C1
InChIInChI=1S/C18H33N3/c1-6-16-12-17(21(8-3)20-16)18(19-7-2)15-10-13(4)9-14(5)11-15/h12-15,18-19H,6-11H2,1-5H3
InChIKeyCYKVQHHSTGLGGR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.19
Rot. Bonds6

About N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine

N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 105154223) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
PubChem CID105154223
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)nn1CC)C1CC(C)CC(C)C1
InChIInChI=1S/C18H33N3/c1-6-16-12-17(21(8-3)20-16)18(19-7-2)15-10-13(4)9-14(5)11-15/h12-15,18-19H,6-11H2,1-5H3
InChIKeyCYKVQHHSTGLGGR-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105282054
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 105155834
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503952
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine (CID 105154223) is N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(CC)nn1CC)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is CYKVQHHSTGLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-16-12-17(21(8-3)20-16)18(19-7-2)15-10-13(4)9-14(5)11-15/h12-15,18-19H,6-11H2,1-5H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105154223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).