3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol

C10H19N3OS — CID 66114934

IUPAC3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
SMILESCCCc1nn(C)c(SCCCO)c1N
InChIInChI=1S/C10H19N3OS/c1-3-5-8-9(11)10(13(2)12-8)15-7-4-6-14/h14H,3-7,11H2,1-2H3
InChIKeyFOFMAXRRHZQJLF-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.43
Rot. Bonds6

About 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol

3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol (PubChem CID 66114934) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
PubChem CID66114934
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
SMILESCCCc1nn(C)c(SCCCO)c1N
InChIInChI=1S/C10H19N3OS/c1-3-5-8-9(11)10(13(2)12-8)15-7-4-6-14/h14H,3-7,11H2,1-2H3
InChIKeyFOFMAXRRHZQJLF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol (CID 66114934) is 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol is CCCc1nn(C)c(SCCCO)c1N.
What is the InChIKey of 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol?
The InChIKey is FOFMAXRRHZQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-5-8-9(11)10(13(2)12-8)15-7-4-6-14/h14H,3-7,11H2,1-2H3.
What are the key properties of 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol?
3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 66114934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).