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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).