2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

C11H19N3S — CID 105158662

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCc1cc(CC(N)C2CCSC2)n(C)n1
InChIInChI=1S/C11H19N3S/c1-8-5-10(14(2)13-8)6-11(12)9-3-4-15-7-9/h5,9,11H,3-4,6-7,12H2,1-2H3
InChIKeyNRZFWERPHKZSCD-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.35
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105158662) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
PubChem CID105158662
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCc1cc(CC(N)C2CCSC2)n(C)n1
InChIInChI=1S/C11H19N3S/c1-8-5-10(14(2)13-8)6-11(12)9-3-4-15-7-9/h5,9,11H,3-4,6-7,12H2,1-2H3
InChIKeyNRZFWERPHKZSCD-UHFFFAOYSA-N
XLogP1.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
[1-(4-butylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315698
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030
1-(1,4-dithian-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 79973099
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965376
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (CID 105158662) is 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is Cc1cc(CC(N)C2CCSC2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is NRZFWERPHKZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-5-10(14(2)13-8)6-11(12)9-3-4-15-7-9/h5,9,11H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105158662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).