N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

C15H27N3S — CID 105155745

IUPACN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2CCSC2)n1
InChIInChI=1S/C15H27N3S/c1-4-14(5-2)18-8-6-13(17-18)10-15(16-3)12-7-9-19-11-12/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3
InChIKeyZQVQVCMCKOSCDB-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.13
Rot. Bonds7

About N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105155745) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
PubChem CID105155745
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2CCSC2)n1
InChIInChI=1S/C15H27N3S/c1-4-14(5-2)18-8-6-13(17-18)10-15(16-3)12-7-9-19-11-12/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3
InChIKeyZQVQVCMCKOSCDB-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)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-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thian-2-yl)ethanamine
CID 80626578
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104991781
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65424963
2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanone
CID 105106219
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65139202
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (CID 105155745) is N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)C2CCSC2)n1.
What is the InChIKey of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is ZQVQVCMCKOSCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-14(5-2)18-8-6-13(17-18)10-15(16-3)12-7-9-19-11-12/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105155745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).