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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6467947
N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062932
1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide
CID 2738502
(1-Methylpyrrol-2-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53577819
N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 71869330
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(1-methylpyrrole-2-carbonyl)piperidine
CID 118740358
1-ethyl-N-[(2-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91920317
1,3-Dimethyl-N-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1H-pyrazole-5-carboxamide
CID 91920323
1-methyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 28818859
N-cyclopropyl-1-methyl-N-((1-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 73167954
1,5-Dimethyl-N-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1H-pyrazole-3-carboxamide
CID 91909627
1-ethyl-N-[(2-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 91909641

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).