N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide

C13H20F3N3O2S — CID 134331604

IUPACN-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H20F3N3O2S/c1-8(2)11-7-12(13(14,15)16)17-19(11)10-5-4-9(6-10)18-22(3,20)21/h7-10,18H,4-6H2,1-3H3
InChIKeyNZOWZCSHWCDXHO-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.67
Rot. Bonds4

About N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide

N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide (PubChem CID 134331604) has the molecular formula C13H20F3N3O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
PubChem CID134331604
Molecular FormulaC13H20F3N3O2S
Molecular Weight339.38 g/mol
Exact Mass339.12
IUPAC NameN-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H20F3N3O2S/c1-8(2)11-7-12(13(14,15)16)17-19(11)10-5-4-9(6-10)18-22(3,20)21/h7-10,18H,4-6H2,1-3H3
InChIKeyNZOWZCSHWCDXHO-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide (CID 134331604) is N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide is CC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The InChIKey is NZOWZCSHWCDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2S/c1-8(2)11-7-12(13(14,15)16)17-19(11)10-5-4-9(6-10)18-22(3,20)21/h7-10,18H,4-6H2,1-3H3.
What are the key properties of N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 134331604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).