1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide

C11H12F3N5O2S — CID 126833360

IUPAC1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H12F3N5O2S/c1-7(2)19-6-9(5-17-19)22(20,21)18-8-3-15-10(16-4-8)11(12,13)14/h3-7,18H,1-2H3
InChIKeyRRUFASILFITELW-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.07
Rot. Bonds4

About 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide (PubChem CID 126833360) has the molecular formula C11H12F3N5O2S and a molecular weight of 335.31 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide
PubChem CID126833360
Molecular FormulaC11H12F3N5O2S
Molecular Weight335.31 g/mol
Exact Mass335.07
IUPAC Name1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H12F3N5O2S/c1-7(2)19-6-9(5-17-19)22(20,21)18-8-3-15-10(16-4-8)11(12,13)14/h3-7,18H,1-2H3
InChIKeyRRUFASILFITELW-UHFFFAOYSA-N
XLogP2.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 6464558
3,3,3-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 91629192
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 91911666
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide
CID 59144691
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]ethanesulfonamide
CID 59145018
5-fluoro-2-N-(1-methylpyrazol-4-yl)-4-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrimidine-2,4-diamine
CID 89651416
5-fluoro-2-N-(1-methylpyrazol-4-yl)-4-N-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrimidine-2,4-diamine
CID 89659560
5-fluoro-2-N-(1-methylpyrazol-4-yl)-4-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 117774454
[4-Amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite
CID 163281177
2-(1-pyrimidin-5-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethynesulfonamide
CID 73051778
1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
CID 99802705
1-(2,2-difluoroethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 99823066

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide (CID 126833360) is 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide?
The InChIKey is RRUFASILFITELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2S/c1-7(2)19-6-9(5-17-19)22(20,21)18-8-3-15-10(16-4-8)11(12,13)14/h3-7,18H,1-2H3.
What are the key properties of 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 126833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).