N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide

C8H13N3O3S — CID 78924770

IUPACN-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-11(3-4-15(2,13)14)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZSKWYBKOQDMFJY-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.47
Rot. Bonds4

About N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 78924770) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
PubChem CID78924770
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-11(3-4-15(2,13)14)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZSKWYBKOQDMFJY-UHFFFAOYSA-N
XLogP-0.47
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide (CID 78924770) is N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide is CN(CCS(C)(=O)=O)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZSKWYBKOQDMFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-11(3-4-15(2,13)14)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78924770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).