3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine

C10H19N3O2S2 — CID 66028474

IUPAC3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1SCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S2/c1-4-5-13-10(9(11)8(2)12-13)16-6-7-17(3,14)15/h4-7,11H2,1-3H3
InChIKeyWQEOHGZYTKUYKB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.32
Rot. Bonds6

About 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine

3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine (PubChem CID 66028474) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
PubChem CID66028474
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1SCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S2/c1-4-5-13-10(9(11)8(2)12-13)16-6-7-17(3,14)15/h4-7,11H2,1-3H3
InChIKeyWQEOHGZYTKUYKB-UHFFFAOYSA-N
XLogP1.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
CID 66028469
ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate
CID 66029241
3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
CID 66015886
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289
3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
CID 75434071
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
3-(3-methylphenyl)-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
CID 78778174
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine (CID 66028474) is 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1SCCS(C)(=O)=O.
What is the InChIKey of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine?
The InChIKey is WQEOHGZYTKUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-4-5-13-10(9(11)8(2)12-13)16-6-7-17(3,14)15/h4-7,11H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine?
3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine has a molecular weight of 277.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 66028474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).