N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H20N4O3S — CID 114133349

IUPACN-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H20N4O3S/c1-8-10(9(7-15)13-12-8)18(16,17)11-5-4-6-14(2)3/h11,15H,4-7H2,1-3H3,(H,12,13)
InChIKeyXXNPJAVVMFSGTA-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.56
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114133349) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114133349
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H20N4O3S/c1-8-10(9(7-15)13-12-8)18(16,17)11-5-4-6-14(2)3/h11,15H,4-7H2,1-3H3,(H,12,13)
InChIKeyXXNPJAVVMFSGTA-UHFFFAOYSA-N
XLogP-0.56
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.56
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

3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107451513
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-[2-(2,2-difluoroethoxy)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106001528
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106044308
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114133349) is N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CO)c1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XXNPJAVVMFSGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-8-10(9(7-15)13-12-8)18(16,17)11-5-4-6-14(2)3/h11,15H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114133349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).