N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide

C12H16N4O3S — CID 99819528

IUPACN-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O3S/c1-9(2)16-6-4-5-11(16)12(17)14-20(18,19)10-7-13-15(3)8-10/h4-9H,1-3H3,(H,14,17)
InChIKeyUYCFKDKQUHLYIS-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.92
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide

N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 99819528) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID99819528
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O3S/c1-9(2)16-6-4-5-11(16)12(17)14-20(18,19)10-7-13-15(3)8-10/h4-9H,1-3H3,(H,14,17)
InChIKeyUYCFKDKQUHLYIS-UHFFFAOYSA-N
XLogP0.92
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide (CID 99819528) is N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is UYCFKDKQUHLYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9(2)16-6-4-5-11(16)12(17)14-20(18,19)10-7-13-15(3)8-10/h4-9H,1-3H3,(H,14,17).
What are the key properties of N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 99819528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).