N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine

C11H21N3O2S — CID 66441213

IUPACN-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCNCc1cnn(CCS(C)(=O)=O)c1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-9(2)11-10(7-12-3)8-13-14(11)5-6-17(4,15)16/h8-9,12H,5-7H2,1-4H3
InChIKeyJDXSMTDWXQDIFV-UHFFFAOYSA-N
MW259.38 g/mol
LogP0.77
Rot. Bonds6

About N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine

N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 66441213) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID66441213
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCNCc1cnn(CCS(C)(=O)=O)c1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-9(2)11-10(7-12-3)8-13-14(11)5-6-17(4,15)16/h8-9,12H,5-7H2,1-4H3
InChIKeyJDXSMTDWXQDIFV-UHFFFAOYSA-N
XLogP0.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine (CID 66441213) is N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine is CNCc1cnn(CCS(C)(=O)=O)c1C(C)C.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is JDXSMTDWXQDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-9(2)11-10(7-12-3)8-13-14(11)5-6-17(4,15)16/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 259.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66441213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).