2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

C10H17N3S — CID 105175095

IUPAC2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCSC2)n1
InChIInChI=1S/C10H17N3S/c1-13-4-2-9(12-13)6-10(11)8-3-5-14-7-8/h2,4,8,10H,3,5-7,11H2,1H3
InChIKeyHRVPWPRYZCCGGQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.04
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine

2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105175095) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
PubChem CID105175095
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCSC2)n1
InChIInChI=1S/C10H17N3S/c1-13-4-2-9(12-13)6-10(11)8-3-5-14-7-8/h2,4,8,10H,3,5-7,11H2,1H3
InChIKeyHRVPWPRYZCCGGQ-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595877
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105158662
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
CID 103135015
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine (CID 105175095) is 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is Cn1ccc(CC(N)C2CCSC2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is HRVPWPRYZCCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-4-2-9(12-13)6-10(11)8-3-5-14-7-8/h2,4,8,10H,3,5-7,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine?
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105175095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).