2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C10H14F3N3O3S — CID 84593345

IUPAC2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(C)(C)S(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O3S/c1-9(2,3)20(18,19)5-8(17)14-7-4-6(15-16-7)10(11,12)13/h4H,5H2,1-3H3,(H2,14,15,16,17)
InChIKeyKJUQTZHIQKYVFJ-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.58
Rot. Bonds3

About 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 84593345) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID84593345
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(C)(C)S(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O3S/c1-9(2,3)20(18,19)5-8(17)14-7-4-6(15-16-7)10(11,12)13/h4H,5H2,1-3H3,(H2,14,15,16,17)
InChIKeyKJUQTZHIQKYVFJ-UHFFFAOYSA-N
XLogP1.58
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 84593345) is 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC(C)(C)S(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is KJUQTZHIQKYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c1-9(2,3)20(18,19)5-8(17)14-7-4-6(15-16-7)10(11,12)13/h4H,5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 313.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 84593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).