N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine

C13H17N3O2S — CID 107331976

IUPACN-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCNC(CS(C)(=O)=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-14-12(10-19(2,17)18)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3
InChIKeyFOAAXNZRJNITQW-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.18
Rot. Bonds5

About N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine

N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine (PubChem CID 107331976) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
PubChem CID107331976
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCNC(CS(C)(=O)=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-14-12(10-19(2,17)18)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3
InChIKeyFOAAXNZRJNITQW-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
5-benzyl-1-phenylpyrazole
CID 14003889
1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
CID 107330721
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330821
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine (CID 107331976) is N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine is CNC(CS(C)(=O)=O)c1ccnn1-c1ccccc1.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The InChIKey is FOAAXNZRJNITQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-14-12(10-19(2,17)18)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine?
N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine has a molecular weight of 279.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107331976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).