2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide

C11H19N3O3S — CID 71859611

IUPAC2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H19N3O3S/c1-6-14-10(7-9(4)12-14)11(15)13(5)18(16,17)8(2)3/h7-8H,6H2,1-5H3
InChIKeyNBSACXHHLNWQMV-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.02
Rot. Bonds4

About 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide

2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide (PubChem CID 71859611) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
PubChem CID71859611
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H19N3O3S/c1-6-14-10(7-9(4)12-14)11(15)13(5)18(16,17)8(2)3/h7-8H,6H2,1-5H3
InChIKeyNBSACXHHLNWQMV-UHFFFAOYSA-N
XLogP1.02
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide (CID 71859611) is 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(C)S(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide?
The InChIKey is NBSACXHHLNWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-6-14-10(7-9(4)12-14)11(15)13(5)18(16,17)8(2)3/h7-8H,6H2,1-5H3.
What are the key properties of 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide?
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide is sourced from PubChem (CID 71859611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).