2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol

C8H15N3OS — CID 64806110

IUPAC2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
SMILESCc1cc(SCC(N)CO)n(C)n1
InChIInChI=1S/C8H15N3OS/c1-6-3-8(11(2)10-6)13-5-7(9)4-12/h3,7,12H,4-5,9H2,1-2H3
InChIKeyMOALFDRHADHVEN-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol

2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol (PubChem CID 64806110) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
PubChem CID64806110
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
SMILESCc1cc(SCC(N)CO)n(C)n1
InChIInChI=1S/C8H15N3OS/c1-6-3-8(11(2)10-6)13-5-7(9)4-12/h3,7,12H,4-5,9H2,1-2H3
InChIKeyMOALFDRHADHVEN-UHFFFAOYSA-N
XLogP0.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol (CID 64806110) is 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol is Cc1cc(SCC(N)CO)n(C)n1.
What is the InChIKey of 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol?
The InChIKey is MOALFDRHADHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6-3-8(11(2)10-6)13-5-7(9)4-12/h3,7,12H,4-5,9H2,1-2H3.
What are the key properties of 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol?
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64806110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).