N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C12H25N5O2S — CID 106035138

IUPACN-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C12H25N5O2S/c1-4-16(5-2)8-7-15-20(18,19)12-10-14-17(11-12)9-6-13-3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyOQDYUQFIWRUMJB-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.28
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106035138) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106035138
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC NameN-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C12H25N5O2S/c1-4-16(5-2)8-7-15-20(18,19)12-10-14-17(11-12)9-6-13-3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyOQDYUQFIWRUMJB-UHFFFAOYSA-N
XLogP-0.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[2-(methylamino)ethyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 106064162
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106086810
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106035138) is N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cnn(CCNC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is OQDYUQFIWRUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-4-16(5-2)8-7-15-20(18,19)12-10-14-17(11-12)9-6-13-3/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of -0.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106035138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).