5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide

C14H20N4O2S — CID 71873695

IUPAC5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C14H20N4O2S/c1-3-4-6-10-17-21(19,20)13-11-16-18(12(13)2)14-8-5-7-9-15-14/h5,7-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyMVELXWLUSZAJON-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.04
Rot. Bonds7

About 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide

5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71873695) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71873695
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C14H20N4O2S/c1-3-4-6-10-17-21(19,20)13-11-16-18(12(13)2)14-8-5-7-9-15-14/h5,7-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyMVELXWLUSZAJON-UHFFFAOYSA-N
XLogP2.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 75455806
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 136580961
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 61272120
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
4-methylsulfonyl-1-pyridin-2-ylpyrazol-5-amine
CID 79020335
(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766859

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 71873695) is 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide is CCCCCNS(=O)(=O)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is MVELXWLUSZAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-4-6-10-17-21(19,20)13-11-16-18(12(13)2)14-8-5-7-9-15-14/h5,7-9,11,17H,3-4,6,10H2,1-2H3.
What are the key properties of 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71873695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).