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

C11H16F3N3O2S — CID 122633588

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
SMILESCc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-5-10(11(12,13)14)15-17(7)9-4-3-8(6-9)16-20(2,18)19/h5,8-9,16H,3-4,6H2,1-2H3
InChIKeyGQXSMSAHEITVSN-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.85
Rot. Bonds3

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

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide (PubChem CID 122633588) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
PubChem CID122633588
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide
SMILESCc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-5-10(11(12,13)14)15-17(7)9-4-3-8(6-9)16-20(2,18)19/h5,8-9,16H,3-4,6H2,1-2H3
InChIKeyGQXSMSAHEITVSN-UHFFFAOYSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide (CID 122633588) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide is Cc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
The InChIKey is GQXSMSAHEITVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7-5-10(11(12,13)14)15-17(7)9-4-3-8(6-9)16-20(2,18)19/h5,8-9,16H,3-4,6H2,1-2H3.
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 122633588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).