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

C14H16F3N3O3S — CID 23050769

IUPAC4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C14H16F3N3O3S/c1-3-10-8-18-20(9(10)2)13(21)19-24(22,23)12-7-5-4-6-11(12)14(15,16)17/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeySUHAVERIMWQBCK-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.82
Rot. Bonds3

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

4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050769) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050769
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C14H16F3N3O3S/c1-3-10-8-18-20(9(10)2)13(21)19-24(22,23)12-7-5-4-6-11(12)14(15,16)17/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeySUHAVERIMWQBCK-UHFFFAOYSA-N
XLogP2.82
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050769) is 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is CCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1C.
What is the InChIKey of 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SUHAVERIMWQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-3-10-8-18-20(9(10)2)13(21)19-24(22,23)12-7-5-4-6-11(12)14(15,16)17/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).