3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine

C9H17N3O2S2 — CID 66015886

IUPAC3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
SMILESCCc1nn(C)c(SCCS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N3O2S2/c1-4-7-8(10)9(12(2)11-7)15-5-6-16(3,13)14/h4-6,10H2,1-3H3
InChIKeyDZWVZYBZTACSHH-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.70
Rot. Bonds5

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

3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine (PubChem CID 66015886) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
PubChem CID66015886
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
SMILESCCc1nn(C)c(SCCS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N3O2S2/c1-4-7-8(10)9(12(2)11-7)15-5-6-16(3,13)14/h4-6,10H2,1-3H3
InChIKeyDZWVZYBZTACSHH-UHFFFAOYSA-N
XLogP0.70
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine 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

3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
CID 66114934
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521
5-(2,5-difluorophenyl)sulfanyl-3-ethyl-1-methylpyrazol-4-amine
CID 66015291
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
CID 66018158
3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
CID 75434071
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine
CID 66016865
5-N-butyl-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66016939
1-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697018

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine (CID 66015886) is 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine is CCc1nn(C)c(SCCS(C)(=O)=O)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The InChIKey is DZWVZYBZTACSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-7-8(10)9(12(2)11-7)15-5-6-16(3,13)14/h4-6,10H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine has a molecular weight of 263.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 66015886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).