5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide

C13H19N5O2S — CID 106082529

IUPAC5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
SMILESCCCNCc1c(S(=O)(=O)Nc2ccccn2)n[nH]c1C
InChIInChI=1S/C13H19N5O2S/c1-3-7-14-9-11-10(2)16-17-13(11)21(19,20)18-12-6-4-5-8-15-12/h4-6,8,14H,3,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBRFLVMUBPNONJZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.41
Rot. Bonds7

About 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide

5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide (PubChem CID 106082529) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
PubChem CID106082529
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
SMILESCCCNCc1c(S(=O)(=O)Nc2ccccn2)n[nH]c1C
InChIInChI=1S/C13H19N5O2S/c1-3-7-14-9-11-10(2)16-17-13(11)21(19,20)18-12-6-4-5-8-15-12/h4-6,8,14H,3,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBRFLVMUBPNONJZ-UHFFFAOYSA-N
XLogP1.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106059200
5-methyl-N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106028693
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-hexan-3-yl-5-methyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106055423
5-methyl-N-(2-propan-2-yloxyethyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106077561
N-(2-ethoxyethyl)-N,5-dimethyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 81064184
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471
4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide (CID 106082529) is 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide is CCCNCc1c(S(=O)(=O)Nc2ccccn2)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide?
The InChIKey is BRFLVMUBPNONJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-7-14-9-11-10(2)16-17-13(11)21(19,20)18-12-6-4-5-8-15-12/h4-6,8,14H,3,7,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide?
5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106082529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).