N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H16F3N3O3S — CID 138008703

IUPACN,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O3S/c1-7(6-21(4,19)20)16(2)10(18)8-5-9(11(12,13)14)17(3)15-8/h5,7H,6H2,1-4H3
InChIKeyRVICHWDOVUIRMW-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.94
Rot. Bonds4

About N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 138008703) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID138008703
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC NameN,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O3S/c1-7(6-21(4,19)20)16(2)10(18)8-5-9(11(12,13)14)17(3)15-8/h5,7H,6H2,1-4H3
InChIKeyRVICHWDOVUIRMW-UHFFFAOYSA-N
XLogP0.94
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 138008703) is N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is CC(CS(C)(=O)=O)N(C)C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is RVICHWDOVUIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-7(6-21(4,19)20)16(2)10(18)8-5-9(11(12,13)14)17(3)15-8/h5,7H,6H2,1-4H3.
What are the key properties of N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138008703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).