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

C13H15N5O4S — CID 124999388

IUPAC[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1cncnc1
InChIInChI=1S/C13H15N5O4S/c1-23(20,21)11-6-16-17-12(11)10-7-22-3-2-18(10)13(19)9-4-14-8-15-5-9/h4-6,8,10H,2-3,7H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyROQRIORHLQZVFQ-SNVBAGLBSA-N
MW337.36 g/mol
LogP-0.18
Rot. Bonds3

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

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone (PubChem CID 124999388) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
PubChem CID124999388
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1cncnc1
InChIInChI=1S/C13H15N5O4S/c1-23(20,21)11-6-16-17-12(11)10-7-22-3-2-18(10)13(19)9-4-14-8-15-5-9/h4-6,8,10H,2-3,7H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyROQRIORHLQZVFQ-SNVBAGLBSA-N
XLogP-0.18
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 124988616
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132598
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
(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
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
CID 124960824
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 124990900
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110132428

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone (CID 124999388) is [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone is CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1cncnc1.
What is the InChIKey of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The InChIKey is ROQRIORHLQZVFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-23(20,21)11-6-16-17-12(11)10-7-22-3-2-18(10)13(19)9-4-14-8-15-5-9/h4-6,8,10H,2-3,7H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone has a molecular weight of 337.36 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 124999388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).