3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

C11H18N6O2S — CID 106085795

IUPAC3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C11H18N6O2S/c1-8-11(10(7-12)16-15-8)20(18,19)14-6-4-9-3-5-13-17(9)2/h3,5,14H,4,6-7,12H2,1-2H3,(H,15,16)
InChIKeyPCTDWMQHZMGYRP-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.57
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106085795) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID106085795
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C11H18N6O2S/c1-8-11(10(7-12)16-15-8)20(18,19)14-6-4-9-3-5-13-17(9)2/h3,5,14H,4,6-7,12H2,1-2H3,(H,15,16)
InChIKeyPCTDWMQHZMGYRP-UHFFFAOYSA-N
XLogP-0.57
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106018151
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
CID 107818668
3-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106094251
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410953

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 106085795) is 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCCc1ccnn1C.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PCTDWMQHZMGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-11(10(7-12)16-15-8)20(18,19)14-6-4-9-3-5-13-17(9)2/h3,5,14H,4,6-7,12H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106085795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).