2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid

C10H15N3O5S — CID 124960824

IUPAC2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1CC(=O)O
InChIInChI=1S/C10H15N3O5S/c1-19(16,17)8-4-11-12-10(8)7-6-18-3-2-13(7)5-9(14)15/h4,7H,2-3,5-6H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKeyGXFCZUHZRSJJFD-ZETCQYMHSA-N
MW289.31 g/mol
LogP-0.73
Rot. Bonds4

About 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid

2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid (PubChem CID 124960824) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
PubChem CID124960824
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1CC(=O)O
InChIInChI=1S/C10H15N3O5S/c1-19(16,17)8-4-11-12-10(8)7-6-18-3-2-13(7)5-9(14)15/h4,7H,2-3,5-6H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKeyGXFCZUHZRSJJFD-ZETCQYMHSA-N
XLogP-0.73
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125004035
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124999388
4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholine
CID 110132594
[(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
(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
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid (CID 124960824) is 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid is CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1CC(=O)O.
What is the InChIKey of 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid?
The InChIKey is GXFCZUHZRSJJFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-19(16,17)8-4-11-12-10(8)7-6-18-3-2-13(7)5-9(14)15/h4,7H,2-3,5-6H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid?
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid has a molecular weight of 289.31 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid is sourced from PubChem (CID 124960824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).