1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide

C7H15N5O2S — CID 106074651

IUPAC1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C7H15N5O2S/c1-11(2)10-15(13,14)7-5-9-12(6-7)4-3-8/h5-6,10H,3-4,8H2,1-2H3
InChIKeyKBSHFWIRFQYOTF-UHFFFAOYSA-N
MW233.30 g/mol
LogP-1.40
Rot. Bonds5

About 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide

1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide (PubChem CID 106074651) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
PubChem CID106074651
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C7H15N5O2S/c1-11(2)10-15(13,14)7-5-9-12(6-7)4-3-8/h5-6,10H,3-4,8H2,1-2H3
InChIKeyKBSHFWIRFQYOTF-UHFFFAOYSA-N
XLogP-1.40
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide?
The IUPAC name of 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide (CID 106074651) is 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide.
What is the SMILES notation for 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide?
The canonical SMILES for 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide is CN(C)NS(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide?
The InChIKey is KBSHFWIRFQYOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-11(2)10-15(13,14)7-5-9-12(6-7)4-3-8/h5-6,10H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide?
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide has a molecular weight of 233.30 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide is sourced from PubChem (CID 106074651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).