1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol

C12H24N4OS — CID 112657387

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
SMILESCSCCN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H24N4OS/c1-9-12(13)10(2)16(14-9)8-11(17)7-15(3)5-6-18-4/h11,17H,5-8,13H2,1-4H3
InChIKeyDFDRKHSTYBJGED-UHFFFAOYSA-N
MW272.42 g/mol
LogP0.74
Rot. Bonds7

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol (PubChem CID 112657387) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
PubChem CID112657387
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
SMILESCSCCN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H24N4OS/c1-9-12(13)10(2)16(14-9)8-11(17)7-15(3)5-6-18-4/h11,17H,5-8,13H2,1-4H3
InChIKeyDFDRKHSTYBJGED-UHFFFAOYSA-N
XLogP0.74
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-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

1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 63945059
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 63946653
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 63946861
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 63946862
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 63946863
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 65533400
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107478629
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 107478796
1-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol
CID 116314178
2-[4-(2-Aminoethylamino)-3,5-dimethylpyrazol-1-yl]ethanol
CID 20403523
2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)ethanol
CID 28492268
1-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 117826010

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol (CID 112657387) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol is CSCCN(C)CC(O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol?
The InChIKey is DFDRKHSTYBJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-9-12(13)10(2)16(14-9)8-11(17)7-15(3)5-6-18-4/h11,17H,5-8,13H2,1-4H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol has a molecular weight of 272.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol is sourced from PubChem (CID 112657387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).