[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone

C14H16N4O4S — CID 124988616

IUPAC[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H16N4O4S/c1-23(20,21)12-8-16-17-13(12)11-9-22-7-6-18(11)14(19)10-2-4-15-5-3-10/h2-5,8,11H,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyOOARNHZPJIJKEM-LLVKDONJSA-N
MW336.37 g/mol
LogP0.42
Rot. Bonds3

About [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone (PubChem CID 124988616) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
PubChem CID124988616
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H16N4O4S/c1-23(20,21)12-8-16-17-13(12)11-9-22-7-6-18(11)14(19)10-2-4-15-5-3-10/h2-5,8,11H,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyOOARNHZPJIJKEM-LLVKDONJSA-N
XLogP0.42
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124999388
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132598
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124955011
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
CID 124960824
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110132428
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
CID 125007028
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 124990900
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone (CID 124988616) is [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone is CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccncc1.
What is the InChIKey of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is OOARNHZPJIJKEM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-23(20,21)12-8-16-17-13(12)11-9-22-7-6-18(11)14(19)10-2-4-15-5-3-10/h2-5,8,11H,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone?
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 336.37 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124988616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).