2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

C12H14N4O3S — CID 153410852

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)c1ncccc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-7-10(8(2)16(3)15-7)20(18,19)12-9(11(13)17)5-4-6-14-12/h4-6H,1-3H3,(H2,13,17)
InChIKeyAZQTZDJQPVATHQ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.36
Rot. Bonds3

About 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (PubChem CID 153410852) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
PubChem CID153410852
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)c1ncccc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-7-10(8(2)16(3)15-7)20(18,19)12-9(11(13)17)5-4-6-14-12/h4-6H,1-3H3,(H2,13,17)
InChIKeyAZQTZDJQPVATHQ-UHFFFAOYSA-N
XLogP0.36
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (CID 153410852) is 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)c1ncccc1C(N)=O.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?
The InChIKey is AZQTZDJQPVATHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-10(8(2)16(3)15-7)20(18,19)12-9(11(13)17)5-4-6-14-12/h4-6H,1-3H3,(H2,13,17).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?
2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 153410852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).