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

C9H17N3O2S2 — CID 66010956

IUPAC1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1SCCS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S2/c1-4-12-9(8(10)7(2)11-12)15-5-6-16(3,13)14/h4-6,10H2,1-3H3
InChIKeyXJEXVAHUXCEZKK-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.93
Rot. Bonds5

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

1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine (PubChem CID 66010956) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
PubChem CID66010956
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1SCCS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S2/c1-4-12-9(8(10)7(2)11-12)15-5-6-16(3,13)14/h4-6,10H2,1-3H3
InChIKeyXJEXVAHUXCEZKK-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-5-(propane-1-sulfonyl)-1H-pyrazole-4-sulfonamide
CID 15136916
1,3-Dimethyl-5-(propylsulfanyl)-1H-pyrazole-4-sulfonamide
CID 54056954
1,5-Dimethyl-3-propan-2-ylsulfonylpyrazol-4-amine
CID 138597144
1,5-Dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
CID 138597262
5-methanesulfonyl-1,3-dimethyl-1H-pyrazol-4-amine
CID 43553924
5-Ethylsulfonyl-1,3-dimethylpyrazol-4-amine
CID 43553926
1,3-Dimethyl-5-propylsulfonylpyrazol-4-amine
CID 43553928
5-Butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554539
5-Ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-Tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554541
1,3-Dimethyl-5-propylsulfanylpyrazol-4-amine
CID 43554542
1,3-Dimethyl-5-(2-methylpropylsulfanyl)pyrazol-4-amine
CID 43554546

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine (CID 66010956) is 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine is CCn1nc(C)c(N)c1SCCS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
The InChIKey is XJEXVAHUXCEZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-12-9(8(10)7(2)11-12)15-5-6-16(3,13)14/h4-6,10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine?
1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine has a molecular weight of 263.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 66010956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).