1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide

C12H25N5O2S — CID 106074873

IUPAC1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
SMILESCCNCCCn1nc(C)c(S(=O)(=O)NN(C)C)c1C
InChIInChI=1S/C12H25N5O2S/c1-6-13-8-7-9-17-11(3)12(10(2)14-17)20(18,19)15-16(4)5/h13,15H,6-9H2,1-5H3
InChIKeyAGVHAYNKSBBNON-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.25
Rot. Bonds8

About 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide

1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide (PubChem CID 106074873) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
PubChem CID106074873
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC Name1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
SMILESCCNCCCn1nc(C)c(S(=O)(=O)NN(C)C)c1C
InChIInChI=1S/C12H25N5O2S/c1-6-13-8-7-9-17-11(3)12(10(2)14-17)20(18,19)15-16(4)5/h13,15H,6-9H2,1-5H3
InChIKeyAGVHAYNKSBBNON-UHFFFAOYSA-N
XLogP0.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 9115356
1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
N,3,5-trimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 29089958
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
3,5-diethyl-1-methyl-1H-pyrazole-4-sulfonamide
CID 71756970
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide?
The IUPAC name of 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide (CID 106074873) is 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide?
The canonical SMILES for 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide is CCNCCCn1nc(C)c(S(=O)(=O)NN(C)C)c1C.
What is the InChIKey of 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide?
The InChIKey is AGVHAYNKSBBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-6-13-8-7-9-17-11(3)12(10(2)14-17)20(18,19)15-16(4)5/h13,15H,6-9H2,1-5H3.
What are the key properties of 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide?
1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide has a molecular weight of 303.43 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide is sourced from PubChem (CID 106074873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).