[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine

C9H17N3O2S — CID 106729373

IUPAC[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
SMILESCC(C)S(=O)(=O)CCn1cc(CN)cn1
InChIInChI=1S/C9H17N3O2S/c1-8(2)15(13,14)4-3-12-7-9(5-10)6-11-12/h6-8H,3-5,10H2,1-2H3
InChIKeyFMUKXHAWTAYWEJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.17
Rot. Bonds5

About [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine

[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine (PubChem CID 106729373) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
PubChem CID106729373
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
SMILESCC(C)S(=O)(=O)CCn1cc(CN)cn1
InChIInChI=1S/C9H17N3O2S/c1-8(2)15(13,14)4-3-12-7-9(5-10)6-11-12/h6-8H,3-5,10H2,1-2H3
InChIKeyFMUKXHAWTAYWEJ-UHFFFAOYSA-N
XLogP0.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonyl chloride
CID 106728488
4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730682
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
CID 81195208
(1-but-3-ynylpyrazol-4-yl)methanamine
CID 63644007
[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 146194080
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
CID 176666040
[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
CID 63253968
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202

Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine (CID 106729373) is [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine is CC(C)S(=O)(=O)CCn1cc(CN)cn1.
What is the InChIKey of [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine?
The InChIKey is FMUKXHAWTAYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-8(2)15(13,14)4-3-12-7-9(5-10)6-11-12/h6-8H,3-5,10H2,1-2H3.
What are the key properties of [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine?
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine has a molecular weight of 231.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 106729373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).