N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide

C13H17N5O4S — CID 124725959

IUPACN-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide
SMILESCOc1ccnc(N(C)S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1
InChIInChI=1S/C13H17N5O4S/c1-17(13-14-5-3-12(16-13)21-2)23(19,20)11-7-15-18(8-11)10-4-6-22-9-10/h3,5,7-8,10H,4,6,9H2,1-2H3/t10-/m1/s1
InChIKeyBOEBDRKQGFPXCP-SNVBAGLBSA-N
MW339.38 g/mol
LogP0.47
Rot. Bonds5

About N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide

N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide (PubChem CID 124725959) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide
PubChem CID124725959
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC NameN-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide
SMILESCOc1ccnc(N(C)S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1
InChIInChI=1S/C13H17N5O4S/c1-17(13-14-5-3-12(16-13)21-2)23(19,20)11-7-15-18(8-11)10-4-6-22-9-10/h3,5,7-8,10H,4,6,9H2,1-2H3/t10-/m1/s1
InChIKeyBOEBDRKQGFPXCP-SNVBAGLBSA-N
XLogP0.47
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
CID 154832131
2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine
CID 167856354
2,2-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonyl-3H-indole
CID 167784849
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99821322
1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 138021200
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide
CID 72719683
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 154743695
N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 167788723
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide (CID 124725959) is N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide is COc1ccnc(N(C)S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide?
The InChIKey is BOEBDRKQGFPXCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-17(13-14-5-3-12(16-13)21-2)23(19,20)11-7-15-18(8-11)10-4-6-22-9-10/h3,5,7-8,10H,4,6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide?
N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-N-methyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 124725959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).