2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide

C12H19F2N3O3S — CID 71974774

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C12H19F2N3O3S/c1-7(2)21(19,20)16(5)11(18)6-10-8(3)15-17(9(10)4)12(13)14/h7,12H,6H2,1-5H3
InChIKeyTXPPEUWZNLHHCX-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.63
Rot. Bonds5

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide (PubChem CID 71974774) has the molecular formula C12H19F2N3O3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide
PubChem CID71974774
Molecular FormulaC12H19F2N3O3S
Molecular Weight323.37 g/mol
Exact Mass323.11
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C12H19F2N3O3S/c1-7(2)21(19,20)16(5)11(18)6-10-8(3)15-17(9(10)4)12(13)14/h7,12H,6H2,1-5H3
InChIKeyTXPPEUWZNLHHCX-UHFFFAOYSA-N
XLogP1.63
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide (CID 71974774) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide is Cc1nn(C(F)F)c(C)c1CC(=O)N(C)S(=O)(=O)C(C)C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide?
The InChIKey is TXPPEUWZNLHHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3S/c1-7(2)21(19,20)16(5)11(18)6-10-8(3)15-17(9(10)4)12(13)14/h7,12H,6H2,1-5H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide has a molecular weight of 323.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 71974774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).