N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide

C8H17N5O2S — CID 106074682

IUPACN',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C8H17N5O2S/c1-6-8(7(5-9-2)11-10-6)16(14,15)12-13(3)4/h9,12H,5H2,1-4H3,(H,10,11)
InChIKeyDWKSGDOQDUMYCC-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.81
Rot. Bonds5

About N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide

N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide (PubChem CID 106074682) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide.

Molecular Properties

Compound NameN',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
PubChem CID106074682
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC NameN',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C8H17N5O2S/c1-6-8(7(5-9-2)11-10-6)16(14,15)12-13(3)4/h9,12H,5H2,1-4H3,(H,10,11)
InChIKeyDWKSGDOQDUMYCC-UHFFFAOYSA-N
XLogP-0.81
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470718
5-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093156
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980
N-(3-butoxypropyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106080380
5-methyl-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 106073068

Frequently Asked Questions

What is the IUPAC name of N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide?
The IUPAC name of N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide (CID 106074682) is N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide.
What is the SMILES notation for N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide?
The canonical SMILES for N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide is CNCc1n[nH]c(C)c1S(=O)(=O)NN(C)C.
What is the InChIKey of N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide?
The InChIKey is DWKSGDOQDUMYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-6-8(7(5-9-2)11-10-6)16(14,15)12-13(3)4/h9,12H,5H2,1-4H3,(H,10,11).
What are the key properties of N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide?
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide has a molecular weight of 247.32 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide is sourced from PubChem (CID 106074682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).