N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide

C13H19N5O3S — CID 129003579

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccnn2C)cn1
InChIInChI=1S/C13H19N5O3S/c1-3-18-9-10(8-15-18)13-11(5-7-21-13)16-22(19,20)12-4-6-14-17(12)2/h4,6,8-9,11,13,16H,3,5,7H2,1-2H3/t11-,13+/m0/s1
InChIKeyWQHIWWXKAONRCN-WCQYABFASA-N
MW325.39 g/mol
LogP0.44
Rot. Bonds5

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide (PubChem CID 129003579) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
PubChem CID129003579
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccnn2C)cn1
InChIInChI=1S/C13H19N5O3S/c1-3-18-9-10(8-15-18)13-11(5-7-21-13)16-22(19,20)12-4-6-14-17(12)2/h4,6,8-9,11,13,16H,3,5,7H2,1-2H3/t11-,13+/m0/s1
InChIKeyWQHIWWXKAONRCN-WCQYABFASA-N
XLogP0.44
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 129002936
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
CID 166308374
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897
(2S)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129330114
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128996117
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
CID 128992375

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide (CID 129003579) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide is CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccnn2C)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is WQHIWWXKAONRCN-WCQYABFASA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-3-18-9-10(8-15-18)13-11(5-7-21-13)16-22(19,20)12-4-6-14-17(12)2/h4,6,8-9,11,13,16H,3,5,7H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 129003579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).