3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide

C12H25N5O2S — CID 102990969

IUPAC3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H25N5O2S/c1-6-17(9-7-8-15(3)4)20(18,19)11-10(2)16(5)14-12(11)13/h6-9H2,1-5H3,(H2,13,14)
InChIKeyVEMFCSWTSKVQCV-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.27
Rot. Bonds7

About 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 102990969) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID102990969
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H25N5O2S/c1-6-17(9-7-8-15(3)4)20(18,19)11-10(2)16(5)14-12(11)13/h6-9H2,1-5H3,(H2,13,14)
InChIKeyVEMFCSWTSKVQCV-UHFFFAOYSA-N
XLogP0.27
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-Dimethyl-1H-pyrazol-3-yl)-1-ethyl-5-fluoro-3-methyl-1H-pyrazole-4-sulfonamide
CID 91969597
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide (CID 102990969) is 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is VEMFCSWTSKVQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-6-17(9-7-8-15(3)4)20(18,19)11-10(2)16(5)14-12(11)13/h6-9H2,1-5H3,(H2,13,14).
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 102990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).