3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide

C11H16F3N3O2S — CID 91819432

IUPAC3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide
SMILESCn1nc2c(c1CNS(=O)(=O)CCC(F)(F)F)CCC2
InChIInChI=1S/C11H16F3N3O2S/c1-17-10(8-3-2-4-9(8)16-17)7-15-20(18,19)6-5-11(12,13)14/h15H,2-7H2,1H3
InChIKeyPFRUOYCPFVHHLP-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.28
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 91819432) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID91819432
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide
SMILESCn1nc2c(c1CNS(=O)(=O)CCC(F)(F)F)CCC2
InChIInChI=1S/C11H16F3N3O2S/c1-17-10(8-3-2-4-9(8)16-17)7-15-20(18,19)6-5-11(12,13)14/h15H,2-7H2,1H3
InChIKeyPFRUOYCPFVHHLP-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide (CID 91819432) is 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide is Cn1nc2c(c1CNS(=O)(=O)CCC(F)(F)F)CCC2.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is PFRUOYCPFVHHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-17-10(8-3-2-4-9(8)16-17)7-15-20(18,19)6-5-11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 91819432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).