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

C10H21N5O2S — CID 106055948

IUPAC3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C10H21N5O2S/c1-4-15(3)6-5-12-18(16,17)10-8(2)13-14-9(10)7-11/h12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyZOZPGXGWRVNYST-UHFFFAOYSA-N
MW275.38 g/mol
LogP-0.59
Rot. Bonds7

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

3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106055948) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106055948
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC Name3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C10H21N5O2S/c1-4-15(3)6-5-12-18(16,17)10-8(2)13-14-9(10)7-11/h12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyZOZPGXGWRVNYST-UHFFFAOYSA-N
XLogP-0.59
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106094251
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
CID 107818668
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106018151
3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106064166
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114109939
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
3-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79238081

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 106055948) is 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCN(C)CCNS(=O)(=O)c1c(CN)n[nH]c1C.
What is the InChIKey of 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZOZPGXGWRVNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-4-15(3)6-5-12-18(16,17)10-8(2)13-14-9(10)7-11/h12H,4-7,11H2,1-3H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 275.38 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106055948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).