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

C10H15F3N4O2S — CID 61275236

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17-2-1-8(6-17)3-16-20(18,19)9-4-14-15-5-9/h4-5,8,16H,1-3,6-7H2,(H,14,15)
InChIKeyTZMYPQCUTLQVDZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.57
Rot. Bonds5

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

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61275236) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID61275236
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17-2-1-8(6-17)3-16-20(18,19)9-4-14-15-5-9/h4-5,8,16H,1-3,6-7H2,(H,14,15)
InChIKeyTZMYPQCUTLQVDZ-UHFFFAOYSA-N
XLogP0.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 61275236) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is TZMYPQCUTLQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17-2-1-8(6-17)3-16-20(18,19)9-4-14-15-5-9/h4-5,8,16H,1-3,6-7H2,(H,14,15).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).