3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C11H19F3N4O2S — CID 105358515

IUPAC3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(N)nn1C
InChIInChI=1S/C11H19F3N4O2S/c1-7(2)5-18(6-11(12,13)14)21(19,20)9-8(3)17(4)16-10(9)15/h7H,5-6H2,1-4H3,(H2,15,16)
InChIKeyVFRJQCJCXZJDIR-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 105358515) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID105358515
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(N)nn1C
InChIInChI=1S/C11H19F3N4O2S/c1-7(2)5-18(6-11(12,13)14)21(19,20)9-8(3)17(4)16-10(9)15/h7H,5-6H2,1-4H3,(H2,15,16)
InChIKeyVFRJQCJCXZJDIR-UHFFFAOYSA-N
XLogP1.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-Dimethyl-1H-pyrazol-3-yl)-1-ethyl-5-fluoro-3-methyl-1H-pyrazole-4-sulfonamide
CID 91969597
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105359038

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 105358515) is 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is VFRJQCJCXZJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-7(2)5-18(6-11(12,13)14)21(19,20)9-8(3)17(4)16-10(9)15/h7H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).