5-methyl-1-methylsulfonylpyrazol-3-amine

C5H9N3O2S — CID 130821858

IUPAC5-methyl-1-methylsulfonylpyrazol-3-amine
SMILESCc1cc(N)nn1S(C)(=O)=O
InChIInChI=1S/C5H9N3O2S/c1-4-3-5(6)7-8(4)11(2,9)10/h3H,1-2H3,(H2,6,7)
InChIKeyKEQXJYUQQGLLLL-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.42
Rot. Bonds1

About 5-methyl-1-methylsulfonylpyrazol-3-amine

5-methyl-1-methylsulfonylpyrazol-3-amine (PubChem CID 130821858) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-methyl-1-methylsulfonylpyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-methylsulfonylpyrazol-3-amine
PubChem CID130821858
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name5-methyl-1-methylsulfonylpyrazol-3-amine
SMILESCc1cc(N)nn1S(C)(=O)=O
InChIInChI=1S/C5H9N3O2S/c1-4-3-5(6)7-8(4)11(2,9)10/h3H,1-2H3,(H2,6,7)
InChIKeyKEQXJYUQQGLLLL-UHFFFAOYSA-N
XLogP-0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-iodophosphanyl-5-methylpyrazol-3-amine
CID 169156073
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
CID 117217260
2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
CID 135395095
5-(4-methylphenyl)-2-methylsulfonyl-1,2,4-triazol-3-amine
CID 828555
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 122523732
(2S)-2-(3-amino-5-methylpyrazol-1-yl)butanoic acid
CID 124709590
1-(1,5-dimethylpyrazol-3-yl)-5-methylpyrazol-3-amine
CID 130497130
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
CID 130496612
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
CID 80657286
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfonylpyrazol-3-amine?
The IUPAC name of 5-methyl-1-methylsulfonylpyrazol-3-amine (CID 130821858) is 5-methyl-1-methylsulfonylpyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-methylsulfonylpyrazol-3-amine?
The canonical SMILES for 5-methyl-1-methylsulfonylpyrazol-3-amine is Cc1cc(N)nn1S(C)(=O)=O.
What is the InChIKey of 5-methyl-1-methylsulfonylpyrazol-3-amine?
The InChIKey is KEQXJYUQQGLLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-4-3-5(6)7-8(4)11(2,9)10/h3H,1-2H3,(H2,6,7).
What are the key properties of 5-methyl-1-methylsulfonylpyrazol-3-amine?
5-methyl-1-methylsulfonylpyrazol-3-amine has a molecular weight of 175.21 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfonylpyrazol-3-amine is sourced from PubChem (CID 130821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).