[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine

C9H17N3O2S — CID 106731927

IUPAC[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1nccc1CN
InChIInChI=1S/C9H17N3O2S/c1-2-6-15(13,14)7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3
InChIKeyMEJBWZCXRWZMBD-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.17
Rot. Bonds6

About [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine

[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine (PubChem CID 106731927) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
PubChem CID106731927
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1nccc1CN
InChIInChI=1S/C9H17N3O2S/c1-2-6-15(13,14)7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3
InChIKeyMEJBWZCXRWZMBD-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-propylsulfonylethyl)pyrazole
CID 106731583
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252
(2-propylpyrazol-3-yl)methanesulfonamide
CID 114557239
[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
CID 84660191
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114556320
6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
1-butyl-5-ethylpyrazole
CID 23006159
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257
1-propylsulfonylpropane
CID 11709
[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
CID 106717671

Frequently Asked Questions

What is the IUPAC name of [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine (CID 106731927) is [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine is CCCS(=O)(=O)CCn1nccc1CN.
What is the InChIKey of [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine?
The InChIKey is MEJBWZCXRWZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-6-15(13,14)7-5-12-9(8-10)3-4-11-12/h3-4H,2,5-8,10H2,1H3.
What are the key properties of [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine?
[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine has a molecular weight of 231.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 106731927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).