(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

C10H18N2OS — CID 100688738

IUPAC(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCSC[C@H](O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C10H18N2OS/c1-7-8(2)11-12(9(7)3)5-10(13)6-14-4/h10,13H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyWYACNEZQJGVZDY-SNVBAGLBSA-N
MW214.33 g/mol
LogP1.53
Rot. Bonds4

About (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (PubChem CID 100688738) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
PubChem CID100688738
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCSC[C@H](O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C10H18N2OS/c1-7-8(2)11-12(9(7)3)5-10(13)6-14-4/h10,13H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyWYACNEZQJGVZDY-SNVBAGLBSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)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-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 113317677
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
1-(4-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055920
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
CID 112657387
1-(4-nitropyrazol-1-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 91662465
3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64897769
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
CID 62038265
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055399
3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64897360
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
CID 62043193
1-cyclopentyl-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 113448415

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (CID 100688738) is (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is CSC[C@H](O)Cn1nc(C)c(C)c1C.
What is the InChIKey of (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is WYACNEZQJGVZDY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-8(2)11-12(9(7)3)5-10(13)6-14-4/h10,13H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 100688738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).