5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C8H11F3N4O2S — CID 55006557

IUPAC5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4O2S/c9-8(10,11)4-15(5-1-2-5)18(16,17)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14)
InChIKeyBPBBOXSYACNMRF-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.71
Rot. Bonds4

About 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 55006557) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID55006557
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC Name5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4O2S/c9-8(10,11)4-15(5-1-2-5)18(16,17)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14)
InChIKeyBPBBOXSYACNMRF-UHFFFAOYSA-N
XLogP0.71
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 55006557) is 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BPBBOXSYACNMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c9-8(10,11)4-15(5-1-2-5)18(16,17)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14).
What are the key properties of 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55006557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).