1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide

C14H16F3N3O2S — CID 71997603

IUPAC1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C(C)C)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3N3O2S/c1-8(2)20-7-11(6-18-20)23(21,22)19-9(3)10-4-12(15)14(17)13(16)5-10/h4-9,19H,1-3H3
InChIKeyWFPMYKIRLBIDBJ-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.92
Rot. Bonds5

About 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 71997603) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID71997603
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C(C)C)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3N3O2S/c1-8(2)20-7-11(6-18-20)23(21,22)19-9(3)10-4-12(15)14(17)13(16)5-10/h4-9,19H,1-3H3
InChIKeyWFPMYKIRLBIDBJ-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid
CID 146128021
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 106021617
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997578
1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
CID 166215188
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide (CID 71997603) is 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(C(C)C)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is WFPMYKIRLBIDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-8(2)20-7-11(6-18-20)23(21,22)19-9(3)10-4-12(15)14(17)13(16)5-10/h4-9,19H,1-3H3.
What are the key properties of 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 347.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71997603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).