3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

C13H14F3N3O3S — CID 23050808

IUPAC3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyAQCILBBZPFJYEU-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.57
Rot. Bonds3

About 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050808) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050808
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyAQCILBBZPFJYEU-UHFFFAOYSA-N
XLogP2.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050808) is 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is CCC1CC=NN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is AQCILBBZPFJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-6,8-9H,2,7H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).