1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide

C13H20F2N4O4S — CID 46957562

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C13H20F2N4O4S/c1-9-12(10(2)19(17-9)13(14)15)24(21,22)16-4-3-11(20)18-5-7-23-8-6-18/h13,16H,3-8H2,1-2H3
InChIKeyMWNVERDQMCETGY-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.42
Rot. Bonds6

About 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide (PubChem CID 46957562) has the molecular formula C13H20F2N4O4S and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide
PubChem CID46957562
Molecular FormulaC13H20F2N4O4S
Molecular Weight366.39 g/mol
Exact Mass366.12
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C13H20F2N4O4S/c1-9-12(10(2)19(17-9)13(14)15)24(21,22)16-4-3-11(20)18-5-7-23-8-6-18/h13,16H,3-8H2,1-2H3
InChIKeyMWNVERDQMCETGY-UHFFFAOYSA-N
XLogP0.42
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide (CID 46957562) is 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide?
The InChIKey is MWNVERDQMCETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O4S/c1-9-12(10(2)19(17-9)13(14)15)24(21,22)16-4-3-11(20)18-5-7-23-8-6-18/h13,16H,3-8H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide has a molecular weight of 366.39 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 46957562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).