3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide

C11H16F3N5O2S — CID 52988857

IUPAC3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
SMILESCC1NNC(C)C1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N5O2S/c1-6-10(7(2)17-16-6)22(20,21)19-18-9-4-3-8(5-15-9)11(12,13)14/h3-7,10,16-17,19H,1-2H3,(H,15,18)
InChIKeyXWUWLNFAZFCSBA-UHFFFAOYSA-N
MW339.34 g/mol
LogP0.60
Rot. Bonds4

About 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide

3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide (PubChem CID 52988857) has the molecular formula C11H16F3N5O2S and a molecular weight of 339.34 g/mol. Its IUPAC name is 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
PubChem CID52988857
Molecular FormulaC11H16F3N5O2S
Molecular Weight339.34 g/mol
Exact Mass339.10
IUPAC Name3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
SMILESCC1NNC(C)C1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N5O2S/c1-6-10(7(2)17-16-6)22(20,21)19-18-9-4-3-8(5-15-9)11(12,13)14/h3-7,10,16-17,19H,1-2H3,(H,15,18)
InChIKeyXWUWLNFAZFCSBA-UHFFFAOYSA-N
XLogP0.60
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide?
The IUPAC name of 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide (CID 52988857) is 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide is CC1NNC(C)C1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide?
The InChIKey is XWUWLNFAZFCSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2S/c1-6-10(7(2)17-16-6)22(20,21)19-18-9-4-3-8(5-15-9)11(12,13)14/h3-7,10,16-17,19H,1-2H3,(H,15,18).
What are the key properties of 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide?
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide has a molecular weight of 339.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide is sourced from PubChem (CID 52988857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).