N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C10H15F3N4O2S — CID 120709860

IUPACN-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N4O2S/c1-16(8-2-3-14-4-8)20(18,19)9-5-15-17(6-9)7-10(11,12)13/h5-6,8,14H,2-4,7H2,1H3
InChIKeyCZNKSYYNRSTJGN-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.43
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 120709860) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID120709860
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N4O2S/c1-16(8-2-3-14-4-8)20(18,19)9-5-15-17(6-9)7-10(11,12)13/h5-6,8,14H,2-4,7H2,1H3
InChIKeyCZNKSYYNRSTJGN-UHFFFAOYSA-N
XLogP0.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 120709860) is N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CN(C1CCNC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is CZNKSYYNRSTJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-16(8-2-3-14-4-8)20(18,19)9-5-15-17(6-9)7-10(11,12)13/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120709860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).