1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide

C10H17N3O3S — CID 71974846

IUPAC1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C(C)(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)13-7-8(6-11-13)9(14)12(4)17(5,15)16/h6-7H,1-5H3
InChIKeyIUZIZTQJHATONP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.67
Rot. Bonds2

About 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide

1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide (PubChem CID 71974846) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide
PubChem CID71974846
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C(C)(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)13-7-8(6-11-13)9(14)12(4)17(5,15)16/h6-7H,1-5H3
InChIKeyIUZIZTQJHATONP-UHFFFAOYSA-N
XLogP0.67
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide (CID 71974846) is 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C(C)(C)C)c1)S(C)(=O)=O.
What is the InChIKey of 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide?
The InChIKey is IUZIZTQJHATONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)13-7-8(6-11-13)9(14)12(4)17(5,15)16/h6-7H,1-5H3.
What are the key properties of 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide?
1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 71974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).