1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea

C11H17F3N4O3S — CID 126820705

IUPAC1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea
SMILESCCCc1cc(NC(=O)NCCS(=O)(=O)C(F)(F)F)n(C)n1
InChIInChI=1S/C11H17F3N4O3S/c1-3-4-8-7-9(18(2)17-8)16-10(19)15-5-6-22(20,21)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,19)
InChIKeyFSWZPSYJJXCKOJ-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.43
Rot. Bonds6

About 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea

1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea (PubChem CID 126820705) has the molecular formula C11H17F3N4O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea
PubChem CID126820705
Molecular FormulaC11H17F3N4O3S
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea
SMILESCCCc1cc(NC(=O)NCCS(=O)(=O)C(F)(F)F)n(C)n1
InChIInChI=1S/C11H17F3N4O3S/c1-3-4-8-7-9(18(2)17-8)16-10(19)15-5-6-22(20,21)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,19)
InChIKeyFSWZPSYJJXCKOJ-UHFFFAOYSA-N
XLogP1.43
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea?
The IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea (CID 126820705) is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea.
What is the SMILES notation for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea?
The canonical SMILES for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea is CCCc1cc(NC(=O)NCCS(=O)(=O)C(F)(F)F)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea?
The InChIKey is FSWZPSYJJXCKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3S/c1-3-4-8-7-9(18(2)17-8)16-10(19)15-5-6-22(20,21)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea?
1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea has a molecular weight of 342.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea is sourced from PubChem (CID 126820705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).