2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine

C10H17N3OS — CID 117234212

IUPAC2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(OC2CCCSC2)cn1
InChIInChI=1S/C10H17N3OS/c11-3-4-13-7-10(6-12-13)14-9-2-1-5-15-8-9/h6-7,9H,1-5,8,11H2
InChIKeyPPSOMUQLHCZQJT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine

2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine (PubChem CID 117234212) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine
PubChem CID117234212
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(OC2CCCSC2)cn1
InChIInChI=1S/C10H17N3OS/c11-3-4-13-7-10(6-12-13)14-9-2-1-5-15-8-9/h6-7,9H,1-5,8,11H2
InChIKeyPPSOMUQLHCZQJT-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
CID 117234339
2-[4-(1-methylpyrrolidin-3-yl)oxypyrazol-1-yl]ethanamine
CID 117234171
2-[4-(1-methylpyrrolidin-2-yl)oxypyrazol-1-yl]ethanamine
CID 117234221
2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
CID 117125339
2-[4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazol-1-yl]ethanamine
CID 117234241
2-[4-(thian-4-yloxy)pyrazol-1-yl]acetic acid
CID 117234187
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
1-(2-cyclobutyloxyethyl)pyrazol-4-amine
CID 62137723
1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
CID 117124912
1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
CID 117472448
2-amino-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 115005156
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine (CID 117234212) is 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine is NCCn1cc(OC2CCCSC2)cn1.
What is the InChIKey of 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine?
The InChIKey is PPSOMUQLHCZQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-3-4-13-7-10(6-12-13)14-9-2-1-5-15-8-9/h6-7,9H,1-5,8,11H2.
What are the key properties of 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine?
2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 117234212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).