3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol

C10H19N3OS — CID 66115460

IUPAC3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1cnn(C)c1
InChIInChI=1S/C10H19N3OS/c1-8(11)10(15-5-3-4-14)9-6-12-13(2)7-9/h6-8,10,14H,3-5,11H2,1-2H3
InChIKeyJZEIKWPBUDFQDE-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.92
Rot. Bonds6

About 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol

3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol (PubChem CID 66115460) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol
PubChem CID66115460
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1cnn(C)c1
InChIInChI=1S/C10H19N3OS/c1-8(11)10(15-5-3-4-14)9-6-12-13(2)7-9/h6-8,10,14H,3-5,11H2,1-2H3
InChIKeyJZEIKWPBUDFQDE-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
CID 62333639
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290395
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
CID 66115909
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol (CID 66115460) is 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol is CC(N)C(SCCCO)c1cnn(C)c1.
What is the InChIKey of 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol?
The InChIKey is JZEIKWPBUDFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(11)10(15-5-3-4-14)9-6-12-13(2)7-9/h6-8,10,14H,3-5,11H2,1-2H3.
What are the key properties of 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol?
3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol is sourced from PubChem (CID 66115460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).