(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine

C12H14ClN3O2S — CID 165469999

IUPAC(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-8(14)11-4-3-9(5-12(11)13)16-7-10(6-15-16)19(2,17)18/h3-8H,14H2,1-2H3/t8-/m1/s1
InChIKeyYQHYNJXUNBSWQL-MRVPVSSYSA-N
MW299.78 g/mol
LogP1.95
Rot. Bonds3

About (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine

(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 165469999) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
PubChem CID165469999
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-8(14)11-4-3-9(5-12(11)13)16-7-10(6-15-16)19(2,17)18/h3-8H,14H2,1-2H3/t8-/m1/s1
InChIKeyYQHYNJXUNBSWQL-MRVPVSSYSA-N
XLogP1.95
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
CID 61394747
(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 165477558
(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165472374
1-[3-fluoro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165477513
(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
CID 165477516
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913
3-methyl-5-(4-methylsulfonylpyrazol-1-yl)aniline
CID 165472756
N'-hydroxy-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074
1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165479610
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 165472906
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165479622
1-(2-methyl-4-methylsulfonylphenyl)ethanamine
CID 117304474

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine (CID 165469999) is (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1Cl.
What is the InChIKey of (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is YQHYNJXUNBSWQL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-8(14)11-4-3-9(5-12(11)13)16-7-10(6-15-16)19(2,17)18/h3-8H,14H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine?
(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 299.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 165469999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).