5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine

C8H15N3O2S — CID 117217260

IUPAC5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1CS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-6(2)11-7(4-8(9)10-11)5-14(3,12)13/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyZEIZYBJRYFHJEQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.59
Rot. Bonds3

About 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine

5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine (PubChem CID 117217260) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
PubChem CID117217260
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1CS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-6(2)11-7(4-8(9)10-11)5-14(3,12)13/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyZEIZYBJRYFHJEQ-UHFFFAOYSA-N
XLogP0.59
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
CID 117217258
3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 132586396
(3-amino-1-propan-2-ylpyrazol-5-yl)boronic acid
CID 69090415
5-methyl-1-methylsulfonylpyrazol-3-amine
CID 130821858
5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine
CID 90292774
2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
CID 19620619
6-(methylsulfonylmethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 82391500
(2S)-2-(3-amino-5-methylpyrazol-1-yl)butanoic acid
CID 124709590
4-(methylsulfonylmethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216809
1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
CID 169166896

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine (CID 117217260) is 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine is CC(C)n1nc(N)cc1CS(C)(=O)=O.
What is the InChIKey of 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine?
The InChIKey is ZEIZYBJRYFHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6(2)11-7(4-8(9)10-11)5-14(3,12)13/h4,6H,5H2,1-3H3,(H2,9,10).
What are the key properties of 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine?
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine has a molecular weight of 217.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 117217260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).