2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine

C9H17N3O2S — CID 106730698

IUPAC2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
SMILESCCS(=O)(=O)CCn1cc(CCN)cn1
InChIInChI=1S/C9H17N3O2S/c1-2-15(13,14)6-5-12-8-9(3-4-10)7-11-12/h7-8H,2-6,10H2,1H3
InChIKeyBUZWPSUXOMOTLQ-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.18
Rot. Bonds6

About 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine

2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine (PubChem CID 106730698) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
PubChem CID106730698
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
SMILESCCS(=O)(=O)CCn1cc(CCN)cn1
InChIInChI=1S/C9H17N3O2S/c1-2-15(13,14)6-5-12-8-9(3-4-10)7-11-12/h7-8H,2-6,10H2,1H3
InChIKeyBUZWPSUXOMOTLQ-UHFFFAOYSA-N
XLogP-0.18
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037083
N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 65097132
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
1,4-dipentylpyrazole
CID 70562897
2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 79983250
(1-propylpyrazol-4-yl)methyl methanesulfonate
CID 103572272
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
CID 81195208

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine (CID 106730698) is 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine is CCS(=O)(=O)CCn1cc(CCN)cn1.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The InChIKey is BUZWPSUXOMOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-15(13,14)6-5-12-8-9(3-4-10)7-11-12/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine has a molecular weight of 231.32 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 106730698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).