(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine

C12H16N4O2S — CID 165477516

IUPAC(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-11(13)12-5-4-9(6-14-12)16-8-10(7-15-16)19(2,17)18/h4-8,11H,3,13H2,1-2H3/t11-/m1/s1
InChIKeyKHGOONZWYJJXRB-LLVKDONJSA-N
MW280.35 g/mol
LogP1.08
Rot. Bonds4

About (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 165477516) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID165477516
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-11(13)12-5-4-9(6-14-12)16-8-10(7-15-16)19(2,17)18/h4-8,11H,3,13H2,1-2H3/t11-/m1/s1
InChIKeyKHGOONZWYJJXRB-LLVKDONJSA-N
XLogP1.08
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine (CID 165477516) is (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1.
What is the InChIKey of (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is KHGOONZWYJJXRB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-11(13)12-5-4-9(6-14-12)16-8-10(7-15-16)19(2,17)18/h4-8,11H,3,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 280.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 165477516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).