2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine

C11H19N3S — CID 105113890

IUPAC2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCn1cc(CC(N)C2(C)CCCS2)cn1
InChIInChI=1S/C11H19N3S/c1-11(4-3-5-15-11)10(12)6-9-7-13-14(2)8-9/h7-8,10H,3-6,12H2,1-2H3
InChIKeyGHOJXFIAAMWLEU-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine

2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105113890) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105113890
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCn1cc(CC(N)C2(C)CCCS2)cn1
InChIInChI=1S/C11H19N3S/c1-11(4-3-5-15-11)10(12)6-9-7-13-14(2)8-9/h7-8,10H,3-6,12H2,1-2H3
InChIKeyGHOJXFIAAMWLEU-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
CID 105179943
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069650
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
CID 105104615
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine (CID 105113890) is 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine is Cn1cc(CC(N)C2(C)CCCS2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is GHOJXFIAAMWLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(4-3-5-15-11)10(12)6-9-7-13-14(2)8-9/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine?
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105113890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).